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

Systemtic Name: 7-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-hydroxyethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-hydroxyethylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzhydrylpiperazino)methyl]-2-(2-hydroxyethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C30H37N3O2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)NCCO)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)NCCO)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O2/c1-23(2)26-13-14-27(30(35)28(21-26)31-15-20-34)22-32-16-18-33(19-17-32)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,21,23,29,34H,15-20,22H2,1-2H3,(H,31,35)