N-[4-methyl-1-[4-[(4-methylphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[4-methyl-1-[4-[(4-methylphenyl)amino]piperidin-1-yl]-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[3-methyl-1-[4-(4-methylanilino)piperidine-1-carbonyl]butyl]azepane-1-carboxamide CAS Name: N-[4-methyl-1-[4-(4-methylanilino)-1-piperidinyl]-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[4-methyl-1-[4-(4-methylanilino)piperidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[3-methyl-1-[4-(p-toluidino)piperidine-1-carbonyl]butyl]azepane-1-carboxamide Formula: C25H40N4O2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2CCN(CC2)C(=O)C(CC(C)C)NC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2CCN(CC2)C(=O)C(CC(C)C)NC(=O)N3CCCCCC3

InChI

InChI=1S/C25H40N4O2/c1-19(2)18-23(27-25(31)29-14-6-4-5-7-15-29)24(30)28-16-12-22(13-17-28)26-21-10-8-20(3)9-11-21/h8-11,19,22-23,26H,4-7,12-18H2,1-3H3,(H,27,31)