(4-methyl-3-nitro-phenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone Openeye Name: [1-(4-benzyloxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-3-nitrophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone Traditional Name: [1-(4-benzoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN3C=CC=C3C2C4=CC=C(C=C4)OCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN3C=CC=C3C2C4=CC=C(C=C4)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O4/c1-21-10-11-24(19-27(21)32(34)35)29(33)31-18-6-17-30-16-5-9-26(30)28(31)23-12-14-25(15-13-23)36-20-22-7-3-2-4-8-22/h2-5,7-16,19,28H,6,17-18,20H2,1H3