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

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-methoxy-5-nitro-phenyl)methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-methoxy-5-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2-methoxy-5-nitro-phenyl)methanone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-27-19-9-8-17(23(25)26)14-18(19)20(24)22-11-5-10-21(12-13-22)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3