methyl 2-(azocan-1-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(azocan-1-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(azocan-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1-azocanylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(azocan-1-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCCCCCC3

InChI

InChI=1S/C18H23N3O3/c1-24-18(23)13-7-8-14-15(11-13)19-16(20-17(14)22)12-21-9-5-3-2-4-6-10-21/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,20,22)