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

Systemtic Name: 3-[2-methyl-5-nitro-6-[3-(1,2,4-triazol-1-yl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[2-methyl-5-nitro-6-[3-(1,2,4-triazol-1-yl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[2-methyl-5-nitro-6-[3-(1,2,4-triazol-1-yl)propoxy]-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[2-methyl-5-nitro-6-[3-(1,2,4-triazol-1-yl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[2-methyl-5-nitro-6-[3-(1,2,4-triazol-1-yl)propoxy]pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCCCN2C=NC=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CC1=NC(=C(C(=N1)OCCCN2C=NC=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C20H23N7O3/c1-15-23-19(25-10-7-16-5-2-3-6-17(16)8-11-25)18(27(28)29)20(24-15)30-12-4-9-26-14-21-13-22-26/h2-3,5-6,13-14H,4,7-12H2,1H3