[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16-7-8-18(13-17(16)2)15-22-9-4-10-23(12-11-22)21(25)19-5-3-6-20(14-19)24(26)27/h3,5-8,13-14H,4,9-12,15H2,1-2H3