2,7-dimethyl-4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 2,7-dimethyl-4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2,7-dimethyl-4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2,7-dimethyl-4-[(1-phenyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2,7-dimethyl-4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2,7-dimethyl-4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC2=C(O1)C=CC(=C2)C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-16-8-9-21-19(10-16)15-23(12-17(2)25-21)13-18-11-22-24(14-18)20-6-4-3-5-7-20/h3-11,14,17H,12-13,15H2,1-2H3