7,8-diethoxy-5-[4-[3-(4-phenethylpiperazin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-[3-(4-phenethylpiperazin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-[3-(4-phenethylpiperazin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-[3-(4-phenethyl-1-piperazinyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-[3-(4-phenethylpiperazin-1-yl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-[3-(4-phenethylpiperazino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C34H42N4O3 MolecularWeight: 554.72228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCN(CC4)CCC5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCN(CC4)CCC5=CC=CC=C5)OCC

InChI

InChI=1S/C34H42N4O3/c1-3-40-31-23-29-30(24-32(31)41-4-2)36-33(39)25-35-34(29)28-14-12-27(13-15-28)11-8-17-37-19-21-38(22-20-37)18-16-26-9-6-5-7-10-26/h5-7,9-10,12-15,23-24H,3-4,8,11,16-22,25H2,1-2H3,(H,36,39)