N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazino]-3-[(2-phenylacetyl)amino]benzamide Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O3/c30-23-9-11-24(12-10-23)31-28(36)22-8-13-26(33-14-16-34(17-15-33)29(37)21-6-7-21)25(19-22)32-27(35)18-20-4-2-1-3-5-20/h1-5,8,13,19,21,23-24H,6-7,9-12,14-18,30H2,(H,31,36)(H,32,35)