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

Systemtic Name: 2-[(2,5-diphenylpyrazol-3-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Openeye Name: 2-[(2,5-diphenylpyrazol-3-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine CAS Name: 2-[(2,5-diphenyl-3-pyrazolyl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine IUPAC Name: 2-[(2,5-diphenylpyrazol-3-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Traditional Name: 2-[(2,5-diphenylpyrazol-3-yl)methyl]-7-methoxy-3,4,5,6-tetrahydro-2H-azepine Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=NC(CCCC1)CC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-27-23-15-9-8-12-19(24-23)16-21-17-22(18-10-4-2-5-11-18)25-26(21)20-13-6-3-7-14-20/h2-7,10-11,13-14,17,19H,8-9,12,15-16H2,1H3