6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-])C

InChI

InChI=1S/C26H27N5O4/c1-26(2)11-21-24(22(32)12-26)25(29-20-7-5-4-6-19(20)28-21)16-8-9-23(35-3)17(10-16)14-30-15-18(13-27-30)31(33)34/h4-11,13,15,24-25,28-29H,12,14H2,1-3H3