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

Systemtic Name: N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide Openeye Name: N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide CAS Name: N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-6-quinazolinyl]phenyl]methyl]-3-isoquinolinecarboxamide IUPAC Name: N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]isoquinoline-3-carboxamide Traditional Name: N-cyclopropyl-N-[3-[4-(cyclopropylamino)quinazolin-6-yl]benzyl]isoquinoline-3-carboxamide Formula: C31H27N5O MolecularWeight: 485.57898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CC=C4)CN(C5CC5)C(=O)C6=CC7=CC=CC=C7C=N6

Isomeric SMILES

C1CC1NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CC=C4)CN(C5CC5)C(=O)C6=CC7=CC=CC=C7C=N6

InChI

InChI=1S/C31H27N5O/c37-31(29-16-22-5-1-2-6-24(22)17-32-29)36(26-11-12-26)18-20-4-3-7-21(14-20)23-8-13-28-27(15-23)30(34-19-33-28)35-25-9-10-25/h1-8,13-17,19,25-26H,9-12,18H2,(H,33,34,35)