7,8-diethoxy-5-[4-(3-piperidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-(3-piperidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-[3-(1-piperidyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-[3-(1-piperidinyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-(3-piperidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-(3-piperidinopropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCCCC4)OCC

InChI

InChI=1S/C27H35N3O3/c1-3-32-24-17-22-23(18-25(24)33-4-2)29-26(31)19-28-27(22)21-12-10-20(11-13-21)9-8-16-30-14-6-5-7-15-30/h10-13,17-18H,3-9,14-16,19H2,1-2H3,(H,29,31)