1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluorophenyl)carbamoyl]amino]propyl]-9,9-dimethyl-xanthen-4-yl]propyl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluorophenyl)carbamoyl]amino]propyl]-9,9-dimethyl-xanthen-4-yl]propyl]-3-(4-fluorophenyl)urea Openeye Name: 1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluorophenyl)carbamoyl]amino]propyl]-9,9-dimethyl-xanthen-4-yl]propyl]-3-(4-fluorophenyl)urea CAS Name: 1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluoroanilino)-oxomethyl]amino]propyl]-9,9-dimethyl-4-xanthenyl]propyl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluorophenyl)carbamoyl]amino]propyl]-9,9-dimethylxanthen-4-yl]propyl]-3-(4-fluorophenyl)urea Traditional Name: 1-[3-(dimethylamino)propyl]-1-[3-[5-[3-[3-(dimethylamino)propyl-[(4-fluorophenyl)carbamoyl]amino]propyl]-9,9-dimethyl-xanthen-4-yl]propyl]-3-(4-fluorophenyl)urea Formula: C45H58F2N6O3 MolecularWeight: 768.977226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)CCCN(CCCN(C)C)C(=O)NC3=CC=C(C=C3)F)OC4=C1C=CC=C4CCCN(CCCN(C)C)C(=O)NC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1(C2=C(C(=CC=C2)CCCN(CCCN(C)C)C(=O)NC3=CC=C(C=C3)F)OC4=C1C=CC=C4CCCN(CCCN(C)C)C(=O)NC5=CC=C(C=C5)F)C

InChI

InChI=1S/C45H58F2N6O3/c1-45(2)39-17-7-13-33(15-9-29-52(31-11-27-50(3)4)43(54)48-37-23-19-35(46)20-24-37)41(39)56-42-34(14-8-18-40(42)45)16-10-30-53(32-12-28-51(5)6)44(55)49-38-25-21-36(47)22-26-38/h7-8,13-14,17-26H,9-12,15-16,27-32H2,1-6H3,(H,48,54)(H,49,55)