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

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[(4-benzyloxy-1-piperidyl)methyl]-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-7-[(4-phenylmethoxy-1-piperidinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[(4-benzoxypiperidino)methyl]-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O2/c1-22-26(17-29-30(22)2)20-32-14-15-33-28-9-8-24(16-25(28)19-32)18-31-12-10-27(11-13-31)34-21-23-6-4-3-5-7-23/h3-9,16-17,27H,10-15,18-21H2,1-2H3