4-(3-chloranyl-4-propan-2-yl-phenyl)-1-(phenylmethyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 4-(3-chloranyl-4-propan-2-yl-phenyl)-1-(phenylmethyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 1-benzyl-4-(3-chloro-4-isopropyl-phenyl)-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 4-(3-chloro-4-propan-2-ylphenyl)-1-(phenylmethyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-benzyl-4-(3-chloro-4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-benzyl-4-(3-chloro-4-isopropyl-phenyl)-6-propargyloxy-quinazolin-2-one Formula: C27H23ClN2O2 MolecularWeight: 442.93672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H23ClN2O2/c1-4-14-32-21-11-13-25-23(16-21)26(20-10-12-22(18(2)3)24(28)15-20)29-27(31)30(25)17-19-8-6-5-7-9-19/h1,5-13,15-16,18H,14,17H2,2-3H3