N-[6-[4-(4-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide

Systemtic Name: N-[6-[4-(4-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide Openeye Name: N-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide CAS Name: N-[6-[4-[(4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methylbenzamide IUPAC Name: N-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[6-(4-p-anisoyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N4O3/c1-19-5-3-6-21(17-19)25(31)28-22-9-12-24(27-18-22)29-13-4-14-30(16-15-29)26(32)20-7-10-23(33-2)11-8-20/h3,5-12,17-18H,4,13-16H2,1-2H3,(H,28,31)