ethanedioic acid; 4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: ethanedioic acid; 4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(o-tolylmethyl)piperazin-1-yl]-2-(3-pyridyl)quinazoline; oxalic acid CAS Name: 4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-(3-pyridinyl)quinazoline; oxalic acid IUPAC Name: 4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-pyridin-3-ylquinazoline; oxalic acid Traditional Name: 4-[4-(2-methylbenzyl)piperazino]-2-(3-pyridyl)quinazoline; oxalic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25N5.C2H2O4/c1-19-7-2-3-8-21(19)18-29-13-15-30(16-14-29)25-22-10-4-5-11-23(22)27-24(28-25)20-9-6-12-26-17-20;3-1(4)2(5)6/h2-12,17H,13-16,18H2,1H3;(H,3,4)(H,5,6)