4-butyl-4-nitro-2-(phenylmethyl)-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine

Systemtic Name: 4-butyl-4-nitro-2-(phenylmethyl)-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine Openeye Name: 2-benzyl-4-butyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine CAS Name: 4-butyl-4-nitro-2-(phenylmethyl)-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine IUPAC Name: 2-benzyl-4-butyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine Traditional Name: 2-benzyl-4-butyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN2CCCCC2CN(C1)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1(CN2CCCCC2CN(C1)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O2/c1-2-3-12-20(23(24)25)16-21(14-18-9-5-4-6-10-18)15-19-11-7-8-13-22(19)17-20/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3