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

Systemtic Name: 4-[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-amino-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carbonyl]benzonitrile Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C23H26N6O2/c24-16-17-1-3-18(4-2-17)22(30)29-13-11-27(12-14-29)21-6-5-19(15-20(21)25)23(31)28-9-7-26-8-10-28/h1-6,15,26H,7-14,25H2