4-ethoxy-3-(phenylmethyl)-5-[1-(phenylmethyl)piperidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 4-ethoxy-3-(phenylmethyl)-5-[1-(phenylmethyl)piperidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-benzyl-5-(1-benzyl-4-piperidyl)-4-ethoxy-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 4-ethoxy-3-(phenylmethyl)-5-[1-(phenylmethyl)-4-piperidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-benzyl-5-(1-benzylpiperidin-4-yl)-4-ethoxy-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-benzyl-5-(1-benzyl-4-piperidyl)-4-ethoxy-1,2,4,5-tetrahydro-3-benzazepine Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C2=CC=CC=C2CCN1CC3=CC=CC=C3)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1C(C2=CC=CC=C2CCN1CC3=CC=CC=C3)C4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N2O/c1-2-34-31-30(28-17-20-32(21-18-28)23-25-11-5-3-6-12-25)29-16-10-9-15-27(29)19-22-33(31)24-26-13-7-4-8-14-26/h3-16,28,30-31H,2,17-24H2,1H3