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

Systemtic Name: 3-[3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[3-[3-(1-imidazolyl)propyl]-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[3-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(CN1CCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(CN1CCCN2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C21H26N6O2/c1-17-23-21(25-12-7-18-5-2-3-6-19(18)8-13-25)20(27(28)29)15-26(17)11-4-10-24-14-9-22-16-24/h2-3,5-6,9,14,16H,4,7-8,10-13,15H2,1H3