3-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-(2-methylpropyl)amino]propylcarbamic acid

Systemtic Name: 3-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-(2-methylpropyl)amino]propylcarbamic acid Openeye Name: 3-[(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-isobutyl-amino]propylcarbamic acid CAS Name: 3-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-(2-methylpropyl)amino]propylcarbamic acid IUPAC Name: 3-[(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-(2-methylpropyl)amino]propylcarbamic acid Traditional Name: 3-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-isobutyl-amino]propylcarbamic acid Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)O)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CCCNC(=O)O)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN4O3/c1-16(2)14-27(12-6-11-25-23(30)31)22-26-20-13-18(24)9-10-19(20)21(29)28(22)15-17-7-4-3-5-8-17/h3-5,7-10,13,16,25H,6,11-12,14-15H2,1-2H3,(H,30,31)