(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5/c25-21(17-13-19-20(29-12-11-28-19)14-18(17)24(26)27)23-8-4-7-22(9-10-23)15-16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12,15H2