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

Systemtic Name: methyl 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-isopropylbenzyl)-methyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3/c1-14(2)16-7-5-15(6-8-16)12-25(3)13-20-23-19-11-17(22(27)28-4)9-10-18(19)21(26)24-20/h5-11,14H,12-13H2,1-4H3,(H,23,24,26)