3-[2-azanyl-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-yl-benzenecarbonitrile

Systemtic Name: 3-[2-azanyl-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-yl-benzenecarbonitrile Openeye Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzonitrile CAS Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolinyl)benzonitrile IUPAC Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-isoquinolin-6-ylbenzonitrile Traditional Name: 3-[2-amino-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzonitrile Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N)N

InChI

InChI=1S/C27H22N4O/c28-14-18-9-22(19-5-6-21-15-30-8-7-20(21)11-19)13-25(10-18)32-17-24(29)12-23-16-31-27-4-2-1-3-26(23)27/h1-11,13,15-16,24,31H,12,17,29H2