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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: (3-methyl-2-nitro-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-16-5-3-6-19(20(16)24(26)27)21(25)23-12-4-11-22(13-14-23)15-17-7-9-18(28-2)10-8-17/h3,5-10H,4,11-15H2,1-2H3