methyl 2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[methyl-(2-piperidinobenzyl)amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-27(15-18-8-4-5-9-21(18)28-12-6-3-7-13-28)16-22-25-20-14-17(24(30)31-2)10-11-19(20)23(29)26-22/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,25,26,29)