1-[3-(dimethylamino)propyl]-3-pyren-1-yl-urea

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-pyren-1-yl-urea Openeye Name: 1-[3-(dimethylamino)propyl]-3-pyren-1-yl-urea CAS Name: 1-[3-(dimethylamino)propyl]-3-(1-pyrenyl)urea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-pyren-1-ylurea Traditional Name: 1-[3-(dimethylamino)propyl]-3-pyren-1-yl-urea Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CN(C)CCCNC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C22H23N3O/c1-25(2)14-4-13-23-22(26)24-19-12-10-17-8-7-15-5-3-6-16-9-11-18(19)21(17)20(15)16/h3,5-12H,4,13-14H2,1-2H3,(H2,23,24,26)