3-(4-butyl-5-methyl-3-nitro-pyridin-2-yl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(4-butyl-5-methyl-3-nitro-pyridin-2-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(4-butyl-5-methyl-3-nitro-2-pyridyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(4-butyl-5-methyl-3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(4-butyl-5-methyl-3-nitropyridin-2-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(4-butyl-5-methyl-3-nitro-2-pyridyl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC=C1C)N2CCC3=CC=CC=C3CC2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=NC=C1C)N2CCC3=CC=CC=C3CC2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2/c1-3-4-9-18-15(2)14-21-20(19(18)23(24)25)22-12-10-16-7-5-6-8-17(16)11-13-22/h5-8,14H,3-4,9-13H2,1-2H3