N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide

Systemtic Name: N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide Openeye Name: N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide CAS Name: N-[[3-[4-(cyclopropylamino)-6-quinazolinyl]phenyl]methyl]-3-isoquinolinecarboxamide IUPAC Name: N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide Traditional Name: N-[3-[4-(cyclopropylamino)quinazolin-6-yl]benzyl]isoquinoline-3-carboxamide Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

C1CC1NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C28H23N5O/c34-28(26-14-20-5-1-2-6-22(20)16-29-26)30-15-18-4-3-7-19(12-18)21-8-11-25-24(13-21)27(32-17-31-25)33-23-9-10-23/h1-8,11-14,16-17,23H,9-10,15H2,(H,30,34)(H,31,32,33)