N-[[3-(4-phenylazanylquinazolin-6-yl)phenyl]methyl]-N-propyl-isoquinoline-3-carboxamide

Systemtic Name: N-[[3-(4-phenylazanylquinazolin-6-yl)phenyl]methyl]-N-propyl-isoquinoline-3-carboxamide Openeye Name: N-[[3-(4-anilinoquinazolin-6-yl)phenyl]methyl]-N-propyl-isoquinoline-3-carboxamide CAS Name: N-[[3-(4-anilino-6-quinazolinyl)phenyl]methyl]-N-propyl-3-isoquinolinecarboxamide IUPAC Name: N-[[3-(4-anilinoquinazolin-6-yl)phenyl]methyl]-N-propylisoquinoline-3-carboxamide Traditional Name: N-[3-(4-anilinoquinazolin-6-yl)benzyl]-N-propyl-isoquinoline-3-carboxamide Formula: C34H29N5O MolecularWeight: 523.62696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CCCN(CC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C34H29N5O/c1-2-17-39(34(40)32-20-26-10-6-7-11-28(26)21-35-32)22-24-9-8-12-25(18-24)27-15-16-31-30(19-27)33(37-23-36-31)38-29-13-4-3-5-14-29/h3-16,18-21,23H,2,17,22H2,1H3,(H,36,37,38)