N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-1-ium-1-yl]prop-2-ynyl]-2-oxidanylidene-propanamide

Systemtic Name: N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-1-ium-1-yl]prop-2-ynyl]-2-oxidanylidene-propanamide Openeye Name: N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-1-ium-1-yl]prop-2-ynyl]-2-oxo-propanamide CAS Name: N-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-1-quinazolin-1-iumyl]prop-2-ynyl]-2-oxopropanamide IUPAC Name: N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-1-ium-1-yl]prop-2-ynyl]-2-oxopropanamide Traditional Name: 2-keto-N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-1-ium-1-yl]prop-2-ynyl]propionamide Formula: C26H22N5O3+ MolecularWeight: 452.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=[N+](C3=CC=CC=C32)C#CCNC(=O)C(=O)C)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=[N+](C3=CC=CC=C32)C#CCNC(=O)C(=O)C)OC4=CN=CC=C4

InChI

InChI=1S/C26H21N5O3/c1-18-15-20(10-11-24(18)34-21-7-5-12-27-16-21)30-25-22-8-3-4-9-23(22)31(17-29-25)14-6-13-28-26(33)19(2)32/h3-5,7-12,15-17H,13H2,1-2H3,(H,28,33)/p+1