N-[3-(imidazol-1-ylmethyl)phenyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(4-keto-8-methyl-quinazolin-3-yl)propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C22H21N5O2/c1-16-4-2-7-19-21(16)24-15-27(22(19)29)10-8-20(28)25-18-6-3-5-17(12-18)13-26-11-9-23-14-26/h2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,25,28)