N-[3-[[3-(3-azanylpropyl)-4-oxidanylidene-quinazolin-6-yl]amino]-4-methyl-phenyl]-3-(2-cyanopropan-2-yl)benzamide

Systemtic Name: N-[3-[[3-(3-azanylpropyl)-4-oxidanylidene-quinazolin-6-yl]amino]-4-methyl-phenyl]-3-(2-cyanopropan-2-yl)benzamide Openeye Name: N-[3-[[3-(3-aminopropyl)-4-oxo-quinazolin-6-yl]amino]-4-methyl-phenyl]-3-(1-cyano-1-methyl-ethyl)benzamide CAS Name: N-[3-[[3-(3-aminopropyl)-4-oxo-6-quinazolinyl]amino]-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide IUPAC Name: N-[3-[[3-(3-aminopropyl)-4-oxoquinazolin-6-yl]amino]-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide Traditional Name: N-[3-[[3-(3-aminopropyl)-4-keto-quinazolin-6-yl]amino]-4-methyl-phenyl]-3-(1-cyano-1-methyl-ethyl)benzamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)CCCN

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)CCCN

InChI

InChI=1S/C29H30N6O2/c1-19-8-9-23(34-27(36)20-6-4-7-21(14-20)29(2,3)17-31)16-26(19)33-22-10-11-25-24(15-22)28(37)35(18-32-25)13-5-12-30/h4,6-11,14-16,18,33H,5,12-13,30H2,1-3H3,(H,34,36)