2-[(phenylmethyl)amino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[(phenylmethyl)amino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(benzylamino)-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[(phenylmethyl)amino]-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(benzylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(benzylamino)-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C28H33N3O MolecularWeight: 427.58112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)NCC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)NCC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O/c1-22(2)24-13-14-25(28(32)27(19-24)29-20-23-9-5-3-6-10-23)21-30-15-17-31(18-16-30)26-11-7-4-8-12-26/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,29,32)