3-[8-[[1-[(1-ethanoylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-[(1-ethanoylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(1-acetyl-3-azetidinyl)methyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-[(1-acetylazetidin-3-yl)methyl]-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C1)CN2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC(=O)N1CC(C1)CN2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H29N5O/c1-19(33)32-17-21(18-32)16-31-9-6-25(7-10-31)30-27-13-24(12-23-5-8-29-15-26(23)27)22-4-2-3-20(11-22)14-28/h2-5,8,11-13,15,21,25,30H,6-7,9-10,16-18H2,1H3