2-(3-oxidanylpropylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-(3-oxidanylpropylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(3-hydroxypropylamino)-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(3-hydroxypropylamino)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(3-hydroxypropylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(3-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)NCCCO)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2/c1-19(2)20-9-10-21(24(29)23(17-20)25-11-6-16-28)18-26-12-14-27(15-13-26)22-7-4-3-5-8-22/h3-5,7-10,17,19,28H,6,11-16,18H2,1-2H3,(H,25,29)