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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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