4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(piperidin-4-ylmethyl)benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(piperidin-4-ylmethyl)benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(4-piperidylmethyl)benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(4-piperidinylmethyl)benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(piperidin-4-ylmethyl)benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(4-piperidylmethyl)benzamide Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4CCNCC4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4CCNCC4

InChI

InChI=1S/C26H29N5O2/c1-3-14-31(17-20-4-9-24-23(15-20)26(33)30-18(2)29-24)22-7-5-21(6-8-22)25(32)28-16-19-10-12-27-13-11-19/h1,4-9,15,19,27H,10-14,16-17H2,2H3,(H,28,32)(H,29,30,33)