3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]benzamide

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazino]benzamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C25H30N6O2/c26-16-17-1-3-18(4-2-17)25(33)31-13-11-30(12-14-31)23-10-5-19(15-22(23)28)24(32)29-21-8-6-20(27)7-9-21/h1-5,10,15,20-21H,6-9,11-14,27-28H2,(H,29,32)