[4-(phenylmethyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-29-18-14-17(19(25(27)28)21(31-3)20(18)30-2)22(26)24-11-7-10-23(12-13-24)15-16-8-5-4-6-9-16/h4-6,8-9,14H,7,10-13,15H2,1-3H3