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

Systemtic Name: 2-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-propyl-amino]ethylcarbamic acid Openeye Name: 2-[(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-propyl-amino]ethylcarbamic acid CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-propylamino]ethylcarbamic acid IUPAC Name: 2-[(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-propylamino]ethylcarbamic acid Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)-propyl-amino]ethylcarbamic acid Formula: C21H23ClN4O3 MolecularWeight: 414.88532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCNC(=O)O)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCNC(=O)O)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O3/c1-2-11-25(12-10-23-21(28)29)20-24-18-13-16(22)8-9-17(18)19(27)26(20)14-15-6-4-3-5-7-15/h3-9,13,23H,2,10-12,14H2,1H3,(H,28,29)