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

Systemtic Name: 3-[6-(3-imidazol-1-ylpropoxy)-2-methyl-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[6-(3-imidazol-1-ylpropoxy)-2-methyl-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[6-[3-(1-imidazolyl)propoxy]-2-methyl-5-nitro-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[6-(3-imidazol-1-ylpropoxy)-2-methyl-5-nitropyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[6-(3-imidazol-1-ylpropoxy)-2-methyl-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C21H24N6O3/c1-16-23-20(26-11-7-17-5-2-3-6-18(17)8-12-26)19(27(28)29)21(24-16)30-14-4-10-25-13-9-22-15-25/h2-3,5-6,9,13,15H,4,7-8,10-12,14H2,1H3