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

Systemtic Name: 2-[di(propan-2-yl)amino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(diisopropylamino)-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[di(propan-2-yl)amino]-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[di(propan-2-yl)amino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(diisopropylamino)-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O/c1-20(2)23-12-13-24(27(31)26(18-23)30(21(3)4)22(5)6)19-28-14-16-29(17-15-28)25-10-8-7-9-11-25/h7-13,18,20-22H,14-17,19H2,1-6H3