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

Systemtic Name: 4-[4-[2-azanyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-amino-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-amino-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-amino-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-amino-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C24H28N6O2/c25-17-18-2-4-19(5-3-18)23(31)30-14-12-28(13-15-30)22-7-6-20(16-21(22)26)24(32)29-10-1-8-27-9-11-29/h2-7,16,27H,1,8-15,26H2