1-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

InChI

InChI=1S/C24H31N5O2/c25-21-18-20(24(31)29-13-9-26-10-14-29)7-8-22(21)27-11-4-12-28(16-15-27)23(30)17-19-5-2-1-3-6-19/h1-3,5-8,18,26H,4,9-17,25H2