1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenyl-ethanol

Systemtic Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenyl-ethanol Openeye Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenyl-ethanol CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenylethanol IUPAC Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenylethanol Traditional Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2,2-diphenyl-ethanol Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCOC3=C(C2)C=C(C=C3)C(C(C4=CC=CC=C4)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1=NN(C=C1CN2CCOC3=C(C2)C=C(C=C3)C(C(C4=CC=CC=C4)C5=CC=CC=C5)O)C

InChI

InChI=1S/C29H31N3O2/c1-21-26(18-31(2)30-21)20-32-15-16-34-27-14-13-24(17-25(27)19-32)29(33)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18,28-29,33H,15-16,19-20H2,1-2H3