N-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[(2-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4-o-toluoyl-1,4-diazepan-1-yl)-3-pyridyl]cyclohexanecarboxamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H32N4O2/c1-19-8-5-6-11-22(19)25(31)29-15-7-14-28(16-17-29)23-13-12-21(18-26-23)27-24(30)20-9-3-2-4-10-20/h5-6,8,11-13,18,20H,2-4,7,9-10,14-17H2,1H3,(H,27,30)