N-(1-cyano-2-pyridin-3-yl-ethyl)-4-(1-methylcyclopropyl)-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]butanamide

Systemtic Name: N-(1-cyano-2-pyridin-3-yl-ethyl)-4-(1-methylcyclopropyl)-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]butanamide Openeye Name: N-[1-cyano-2-(3-pyridyl)ethyl]-4-(1-methylcyclopropyl)-2-[[1-(1-methyl-4-piperidyl)-2-oxo-quinazolin-4-yl]amino]butanamide CAS Name: N-[1-cyano-2-(3-pyridinyl)ethyl]-4-(1-methylcyclopropyl)-2-[[1-(1-methyl-4-piperidinyl)-2-oxo-4-quinazolinyl]amino]butanamide IUPAC Name: N-(1-cyano-2-pyridin-3-ylethyl)-4-(1-methylcyclopropyl)-2-[[1-(1-methylpiperidin-4-yl)-2-oxoquinazolin-4-yl]amino]butanamide Traditional Name: N-[1-cyano-2-(3-pyridyl)ethyl]-2-[[2-keto-1-(1-methyl-4-piperidyl)quinazolin-4-yl]amino]-4-(1-methylcyclopropyl)butyramide Formula: C30H37N7O2 MolecularWeight: 527.66048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)CCC(C(=O)NC(CC2=CN=CC=C2)C#N)NC3=NC(=O)N(C4=CC=CC=C43)C5CCN(CC5)C

Isomeric SMILES

CC1(CC1)CCC(C(=O)NC(CC2=CN=CC=C2)C#N)NC3=NC(=O)N(C4=CC=CC=C43)C5CCN(CC5)C

InChI

InChI=1S/C30H37N7O2/c1-30(13-14-30)12-9-25(28(38)33-22(19-31)18-21-6-5-15-32-20-21)34-27-24-7-3-4-8-26(24)37(29(39)35-27)23-10-16-36(2)17-11-23/h3-8,15,20,22-23,25H,9-14,16-18H2,1-2H3,(H,33,38)(H,34,35,39)