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

Systemtic Name: 3-[2-methyl-5-nitro-6-(3-phenylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[2-methyl-5-nitro-6-(3-phenylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[2-methyl-5-nitro-6-(3-phenylpropoxy)-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[2-methyl-5-nitro-6-(3-phenylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[2-methyl-5-nitro-6-(3-phenylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-18-25-23(27-15-13-20-11-5-6-12-21(20)14-16-27)22(28(29)30)24(26-18)31-17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-17H2,1H3