4-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[4-[3-(1-azepanyl)propoxy]phenyl]-3-oxo-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxopiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-keto-piperazine-1-carbonyl]benzonitrile Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N4O3/c28-20-22-6-8-23(9-7-22)27(33)30-17-18-31(26(32)21-30)24-10-12-25(13-11-24)34-19-5-16-29-14-3-1-2-4-15-29/h6-13H,1-5,14-19,21H2