(E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-[2-(pyridin-3-ylmethylamino)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-[2-(pyridin-3-ylmethylamino)ethyl]prop-2-enamide Openeye Name: (E)-3-(6-isopropyl-4-oxo-quinazolin-3-yl)-N-[2-(3-pyridylmethylamino)ethyl]prop-2-enamide CAS Name: (E)-3-(4-oxo-6-propan-2-yl-3-quinazolinyl)-N-[2-(3-pyridinylmethylamino)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-[2-(pyridin-3-ylmethylamino)ethyl]prop-2-enamide Traditional Name: (E)-3-(6-isopropyl-4-keto-quinazolin-3-yl)-N-[2-(3-pyridylmethylamino)ethyl]acrylamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCNCC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCNCC3=CN=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-16(2)18-5-6-20-19(12-18)22(29)27(15-26-20)11-7-21(28)25-10-9-24-14-17-4-3-8-23-13-17/h3-8,11-13,15-16,24H,9-10,14H2,1-2H3,(H,25,28)/b11-7+