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

Systemtic Name: methyl 4-oxidanylidene-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(4-isopropylbenzyl)piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H30N4O3/c1-17(2)19-6-4-18(5-7-19)15-28-10-12-29(13-11-28)16-23-26-22-14-20(25(31)32-3)8-9-21(22)24(30)27-23/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,27,30)