4-acetamido-5-chloranyl-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide

Systemtic Name: 4-acetamido-5-chloranyl-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide Openeye Name: 4-acetamido-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide CAS Name: 4-acetamido-5-chloro-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide IUPAC Name: 4-acetamido-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxybenzamide Traditional Name: 4-acetamido-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)NC(=O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)NC(=O)C

InChI

InChI=1S/C24H31ClN4O3/c1-4-32-23-13-22(26-17(2)30)21(25)12-20(23)24(31)27-19-15-28(3)10-11-29(16-19)14-18-8-6-5-7-9-18/h5-9,12-13,19H,4,10-11,14-16H2,1-3H3,(H,26,30)(H,27,31)