3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C33H30N4O4S MolecularWeight: 578.6807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCN3C(=O)C4=C5C(=C(C=C4)N6CCCCC6)C=CC=C5C3=O)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCN3C(=O)C4=C5C(=C(C=C4)N6CCCCC6)C=CC=C5C3=O)C7=CC=CC=C7

InChI

InChI=1S/C33H30N4O4S/c1-21-26-20-28(42-32(26)37(34-21)22-10-4-2-5-11-22)33(40)41-19-9-18-36-30(38)24-13-8-12-23-27(35-16-6-3-7-17-35)15-14-25(29(23)24)31(36)39/h2,4-5,8,10-15,20H,3,6-7,9,16-19H2,1H3