3-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H29N3O MolecularWeight: 375.50656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O/c1-2-3-12-23-22-11-7-8-17-25-24(22)27(26-23)20-13-15-21(16-14-20)28-18-19-9-5-4-6-10-19/h4-6,9-10,13-16,26H,2-3,7-8,11-12,17-18H2,1H3