2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-7-(2-hydroxyethylamino)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-7-(2-hydroxyethylamino)cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-7-(2-hydroxyethylamino)cyclohepta-2,4,6-trien-1-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-7-(2-hydroxyethylamino)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-7-(2-hydroxyethylamino)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-7-(2-hydroxyethylamino)cyclohepta-2,4,6-trien-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C(C2=O)NCCO)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C(C2=O)NCCO)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c31-20-15-28-25-14-8-7-13-24(27(25)32)21-29-16-18-30(19-17-29)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,26,31H,15-21H2,(H,28,32)