[1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepan-6-yl]methanol

Systemtic Name: [1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepan-6-yl]methanol Openeye Name: (1-benzyl-4-methyl-6-nitro-1,4-diazepan-6-yl)methanol CAS Name: [1-methyl-6-nitro-4-(phenylmethyl)-1,4-diazepan-6-yl]methanol IUPAC Name: (1-benzyl-4-methyl-6-nitro-1,4-diazepan-6-yl)methanol Traditional Name: (1-benzyl-4-methyl-6-nitro-1,4-diazepan-6-yl)methanol Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)(CO)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC(C1)(CO)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C14H21N3O3/c1-15-7-8-16(9-13-5-3-2-4-6-13)11-14(10-15,12-18)17(19)20/h2-6,18H,7-12H2,1H3