3-(6-butoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(6-butoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(6-butoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(6-butoxy-2-methyl-5-nitro-4-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(6-butoxy-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(6-butoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

Isomeric SMILES

CCCCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

InChI

InChI=1S/C19H24N4O3/c1-3-4-13-26-19-17(23(24)25)18(20-14(2)21-19)22-11-9-15-7-5-6-8-16(15)10-12-22/h5-8H,3-4,9-13H2,1-2H3