7,8-diethoxy-3-[4-[3-(4-oxidanylidenepiperidin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-3-[4-[3-(4-oxidanylidenepiperidin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-3-[4-[3-(4-oxo-1-piperidyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-3-[4-[3-(4-oxo-1-piperidinyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-3-[4-[3-(4-oxopiperidin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-3-[4-[3-(4-ketopiperidino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C=NC(C(=O)N2)C3=CC=C(C=C3)CCCN4CCC(=O)CC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C=NC(C(=O)N2)C3=CC=C(C=C3)CCCN4CCC(=O)CC4)OCC

InChI

InChI=1S/C27H33N3O4/c1-3-33-24-16-21-18-28-26(27(32)29-23(21)17-25(24)34-4-2)20-9-7-19(8-10-20)6-5-13-30-14-11-22(31)12-15-30/h7-10,16-18,26H,3-6,11-15H2,1-2H3,(H,29,32)