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

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2-propoxy-benzamide Openeye Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-propoxy-benzamide CAS Name: 4-amino-5-chloro-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2-propoxybenzamide IUPAC Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-propoxybenzamide Traditional Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-propoxy-benzamide Formula: C23H31ClN4O2 MolecularWeight: 430.97084

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

Isomeric SMILES

CCCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

InChI

InChI=1S/C23H31ClN4O2/c1-3-11-30-22-13-21(25)20(24)12-19(22)23(29)26-18-15-27(2)9-10-28(16-18)14-17-7-5-4-6-8-17/h4-8,12-13,18H,3,9-11,14-16,25H2,1-2H3,(H,26,29)