6-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]-N-(3-phenylpropyl)nicotinamide Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c1-3-22(4-2)26(32)30-17-9-16-29(18-19-30)24-14-13-23(20-28-24)25(31)27-15-8-12-21-10-6-5-7-11-21/h5-7,10-11,13-14,20,22H,3-4,8-9,12,15-19H2,1-2H3,(H,27,31)