(3R)-1-[2-but-2-ynyl-8-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-9H-xanthen-1-yl]piperidin-3-amine

Systemtic Name: (3R)-1-[2-but-2-ynyl-8-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-9H-xanthen-1-yl]piperidin-3-amine Openeye Name: (3R)-1-[2-but-2-ynyl-8-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-9H-xanthen-1-yl]piperidin-3-amine CAS Name: (3R)-1-[2-but-2-ynyl-8-[(4-methyl-2-quinazolinyl)methyl]-6-phenyl-9H-xanthen-1-yl]-3-piperidinamine IUPAC Name: (3R)-1-[2-but-2-ynyl-8-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-9H-xanthen-1-yl]piperidin-3-amine Traditional Name: [(3R)-1-[2-but-2-ynyl-8-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-9H-xanthen-1-yl]-3-piperidyl]amine Formula: C38H36N4O MolecularWeight: 564.71864

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC4=NC5=CC=CC=C5C(=N4)C)C6=CC=CC=C6)N7CCCC(C7)N

Isomeric SMILES

CC#CCC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC4=NC5=CC=CC=C5C(=N4)C)C6=CC=CC=C6)N7CCC[C@H](C7)N

InChI

InChI=1S/C38H36N4O/c1-3-4-11-27-17-18-35-33(38(27)42-19-10-14-30(39)24-42)23-32-29(20-28(21-36(32)43-35)26-12-6-5-7-13-26)22-37-40-25(2)31-15-8-9-16-34(31)41-37/h5-9,12-13,15-18,20-21,30H,10-11,14,19,22-24,39H2,1-2H3/t30-/m1/s1