N-[(2-chlorophenyl)methyl]-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(4-nitrophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c21-18-5-2-1-4-16(18)14-22-20(27)24-11-3-10-23(12-13-24)19(26)15-6-8-17(9-7-15)25(28)29/h1-2,4-9H,3,10-14H2,(H,22,27)