N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-cyanophenyl)carbonylamino]-3-methyl-benzamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-cyanophenyl)carbonylamino]-3-methyl-benzamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-cyanobenzoyl)amino]-3-methyl-benzamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[(3-cyanophenyl)-oxomethyl]amino]-3-methylbenzamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-cyanobenzoyl)amino]-3-methylbenzamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-cyanobenzoyl)amino]-3-methyl-benzamide Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H28N4O2/c1-16-10-21(23(29)27-15-19-6-2-4-17(11-19)13-25)8-9-22(16)28-24(30)20-7-3-5-18(12-20)14-26/h3,5,7-10,12,17,19H,2,4,6,11,13,15,25H2,1H3,(H,27,29)(H,28,30)