1-[1-(4-methylpiperidin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea

Systemtic Name: 1-[1-(4-methylpiperidin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Openeye Name: 1-[1-(4-methyl-1-piperidyl)-3-isoquinolyl]-3-[4-(4-pyridyloxy)phenyl]urea CAS Name: 1-[1-(4-methyl-1-piperidinyl)-3-isoquinolinyl]-3-(4-pyridin-4-yloxyphenyl)urea IUPAC Name: 1-[1-(4-methylpiperidin-1-yl)isoquinolin-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Traditional Name: 1-[1-(4-methylpiperidino)-3-isoquinolyl]-3-[4-(4-pyridyloxy)phenyl]urea Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)OC5=CC=NC=C5

Isomeric SMILES

CC1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)OC5=CC=NC=C5

InChI

InChI=1S/C27H27N5O2/c1-19-12-16-32(17-13-19)26-24-5-3-2-4-20(24)18-25(30-26)31-27(33)29-21-6-8-22(9-7-21)34-23-10-14-28-15-11-23/h2-11,14-15,18-19H,12-13,16-17H2,1H3,(H2,29,30,31,33)