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

Systemtic Name: 2-(methylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-(methylamino)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(methylamino)-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(methylamino)-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-(methylamino)-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-17(2)18-9-10-19(22(26)21(15-18)23-3)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)