N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide

Systemtic Name: N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide Openeye Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-benzyl-4-methyl-1,4-diazepane-6-carboxamide CAS Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide IUPAC Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-benzyl-4-methyl-1,4-diazepane-6-carboxamide Traditional Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-benzyl-4-methyl-1,4-diazepane-6-carboxamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC(C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN4O2/c1-25-8-9-26(12-15-6-4-3-5-7-15)14-16(13-25)21(27)24-19-10-17(22)18(23)11-20(19)28-2/h3-7,10-11,16H,8-9,12-14,23H2,1-2H3,(H,24,27)