2-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine

Systemtic Name: 2-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Openeye Name: 2-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine CAS Name: 2-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine IUPAC Name: 2-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Traditional Name: 2-[(1,3-diphenyl-2-pyrazolin-4-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Formula: C23H27N3O MolecularWeight: 361.47998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=NC(CCCC1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-27-22-15-9-8-12-20(24-22)16-19-17-26(21-13-6-3-7-14-21)25-23(19)18-10-4-2-5-11-18/h2-7,10-11,13-14,19-20H,8-9,12,15-17H2,1H3