(2-methoxy-5-nitro-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O4/c1-16-4-6-17(7-5-16)15-22-10-3-11-23(13-12-22)21(25)19-14-18(24(26)27)8-9-20(19)28-2/h4-9,14H,3,10-13,15H2,1-2H3