4-(azepan-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(3-chlorophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(3-chlorophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-chlorobenzyl)-3-nitro-benzamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c21-17-7-5-6-15(12-17)14-22-20(25)16-8-9-18(19(13-16)24(26)27)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2,(H,22,25)