N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(2-phenylacetyl)piperazino]benzamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H36N6O3/c34-22-24-6-8-25(9-7-24)32(41)37-29-21-26(33(42)36-28-13-11-27(35)12-14-28)10-15-30(29)38-16-18-39(19-17-38)31(40)20-23-4-2-1-3-5-23/h1-10,15,21,27-28H,11-14,16-20,35H2,(H,36,42)(H,37,41)