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

Systemtic Name: 2-[1-(2-hydroxyethyloxy)ethylamino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[1-(2-hydroxyethoxy)ethylamino]-4-isopropyl-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[1-(2-hydroxyethoxy)ethylamino]-7-[(4-phenyl-1-piperazinyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[1-(2-hydroxyethoxy)ethylamino]-7-[(4-phenylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-[1-(2-hydroxyethoxy)ethylamino]-4-isopropyl-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-19(2)21-9-10-22(25(30)24(17-21)26-20(3)31-16-15-29)18-27-11-13-28(14-12-27)23-7-5-4-6-8-23/h4-10,17,19-20,29H,11-16,18H2,1-3H3,(H,26,30)