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

Systemtic Name: 2-azanyl-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-amino-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-amino-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-amino-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-amino-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-16(2)17-8-9-18(21(25)20(22)14-17)15-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H2,22,25)