3-chloranylaniline; 2-(1-oxidanylidene-1-phenyl-propan-2-yl)-3-phenethyl-quinazolin-4-one

Systemtic Name: 3-chloranylaniline; 2-(1-oxidanylidene-1-phenyl-propan-2-yl)-3-phenethyl-quinazolin-4-one Openeye Name: 3-chloroaniline; 2-(1-methyl-2-oxo-2-phenyl-ethyl)-3-phenethyl-quinazolin-4-one CAS Name: 3-chloroaniline; 2-(1-oxo-1-phenylpropan-2-yl)-3-phenethyl-4-quinazolinone IUPAC Name: 3-chloroaniline; 2-(1-oxo-1-phenylpropan-2-yl)-3-phenethylquinazolin-4-one Traditional Name: (3-chlorophenyl)amine; 2-(2-keto-1-methyl-2-phenyl-ethyl)-3-phenethyl-quinazolin-4-one Formula: C31H28ClN3O2 MolecularWeight: 510.02592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC(=CC(=C1)Cl)N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC(=CC(=C1)Cl)N

InChI

InChI=1S/C25H22N2O2.C6H6ClN/c1-18(23(28)20-12-6-3-7-13-20)24-26-22-15-9-8-14-21(22)25(29)27(24)17-16-19-10-4-2-5-11-19;7-5-2-1-3-6(8)4-5/h2-15,18H,16-17H2,1H3;1-4H,8H2