3-[2-methyl-5-nitro-6-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[2-methyl-5-nitro-6-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[2-methyl-5-nitro-6-[3-(2-pyridyl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[2-methyl-5-nitro-6-[3-(2-pyridinyl)propoxy]-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[2-methyl-5-nitro-6-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[2-methyl-5-nitro-6-[3-(2-pyridyl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCC2=CC=CC=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCC2=CC=CC=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C23H25N5O3/c1-17-25-22(27-14-11-18-7-2-3-8-19(18)12-15-27)21(28(29)30)23(26-17)31-16-6-10-20-9-4-5-13-24-20/h2-5,7-9,13H,6,10-12,14-16H2,1H3