4-(4-methylphenyl)-2-(piperidin-1-ylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-(piperidin-1-ylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-(1-piperidylmethyl)-4-(p-tolyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-(1-piperidinylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 4-(4-methylphenyl)-2-(piperidin-1-ylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-(piperidinomethyl)-4-(p-tolyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CN4CCCCC4

InChI

InChI=1S/C21H29N3O/c1-16-9-11-17(12-10-16)20-18-7-3-4-8-19(18)21(25)24(22-20)15-23-13-5-2-6-14-23/h9-12,18-19H,2-8,13-15H2,1H3