N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(3-methylbenzoyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-(4-m-toluoylpiperazino)benzamide Formula: C36H45N5O3 MolecularWeight: 595.7742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C36H45N5O3/c1-24-6-5-7-27(22-24)35(44)41-20-18-40(19-21-41)32-17-10-26(34(43)38-30-15-13-29(37)14-16-30)23-31(32)39-33(42)25-8-11-28(12-9-25)36(2,3)4/h5-12,17,22-23,29-30H,13-16,18-21,37H2,1-4H3,(H,38,43)(H,39,42)