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

Systemtic Name: 2-(2-oxidanylpropylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(2-hydroxypropylamino)-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2-hydroxypropylamino)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(2-hydroxypropylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(2-hydroxypropylamino)-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C24H33N3O2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)NCC(C)O)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)NCC(C)O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-18(2)20-9-10-21(24(29)23(15-20)25-16-19(3)28)17-26-11-13-27(14-12-26)22-7-5-4-6-8-22/h4-10,15,18-19,28H,11-14,16-17H2,1-3H3,(H,25,29)