N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-3-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-[4-[3-(dimethylaminomethyl)phenyl]phenyl]-4-keto-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide Formula: C29H28N6O2 MolecularWeight: 492.57162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=CC(=CC=C5)CN(C)C

Isomeric SMILES

CN1C=C(C=N1)CN2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=CC(=CC=C5)CN(C)C

InChI

InChI=1S/C29H28N6O2/c1-33(2)16-20-5-4-6-23(13-20)22-7-10-25(11-8-22)32-28(36)24-9-12-26-27(14-24)30-19-35(29(26)37)18-21-15-31-34(3)17-21/h4-15,17,19H,16,18H2,1-3H3,(H,32,36)