1-[2-[3-[[(cyanoamino)-[(3-methylphenyl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-[[(cyanoamino)-[(3-methylphenyl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-[[(cyanoamino)-(3-methylanilino)methylene]amino]-2-oxo-azepan-1-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[3-[[(cyanoamino)-(3-methylanilino)methylidene]amino]-2-oxo-1-azepanyl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-[[(cyanoamino)-(3-methylanilino)methylidene]amino]-2-oxoazepan-1-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[3-[[(cyanoamino)-(m-toluidino)methylene]amino]-2-keto-azepan-1-yl]acetyl]isonipecotamide Formula: C23H31N7O3 MolecularWeight: 453.53734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCC(CC3)C(=O)N)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCC(CC3)C(=O)N)NC#N

InChI

InChI=1S/C23H31N7O3/c1-16-5-4-6-18(13-16)27-23(26-15-24)28-19-7-2-3-10-30(22(19)33)14-20(31)29-11-8-17(9-12-29)21(25)32/h4-6,13,17,19H,2-3,7-12,14H2,1H3,(H2,25,32)(H2,26,27,28)