(3-methyl-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methyl-2-nitro-phenyl)methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methyl-2-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methyl-2-nitro-phenyl)methanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-16-7-5-10-18(19(16)23(25)26)20(24)22-12-6-11-21(13-14-22)15-17-8-3-2-4-9-17/h2-5,7-10H,6,11-15H2,1H3