3,7-dimethyl-2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-5-piperidin-1-yl-pyrido[3,4-d]pyridazine-1,4-dione

Systemtic Name: 3,7-dimethyl-2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-5-piperidin-1-yl-pyrido[3,4-d]pyridazine-1,4-dione Openeye Name: 2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dimethyl-5-(1-piperidyl)pyrido[3,4-d]pyridazine-1,4-dione CAS Name: 2-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3,7-dimethyl-5-(1-piperidinyl)pyrido[3,4-d]pyridazine-1,4-dione IUPAC Name: 2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dimethyl-5-piperidin-1-ylpyrido[3,4-d]pyridazine-1,4-dione Traditional Name: 2-[2-hydroxy-3-(4-phenylpiperazino)propyl]-3,7-dimethyl-5-piperidino-pyrido[3,4-d]pyridazine-1,4-quinone Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CC(CN3CCN(CC3)C4=CC=CC=C4)O)N5CCCCC5

Isomeric SMILES

CC1=NC(=C2C(=C1)C(=O)N(N(C2=O)C)CC(CN3CCN(CC3)C4=CC=CC=C4)O)N5CCCCC5

InChI

InChI=1S/C27H36N6O3/c1-20-17-23-24(25(28-20)32-11-7-4-8-12-32)27(36)29(2)33(26(23)35)19-22(34)18-30-13-15-31(16-14-30)21-9-5-3-6-10-21/h3,5-6,9-10,17,22,34H,4,7-8,11-16,18-19H2,1-2H3