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

Systemtic Name: 3-[2-methyl-5-nitro-6-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[2-methyl-5-nitro-6-[3-(3-pyridyl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[2-methyl-5-nitro-6-[3-(3-pyridinyl)propoxy]-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[2-methyl-5-nitro-6-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[2-methyl-5-nitro-6-[3-(3-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=CN=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCC2=CN=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

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