methyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[[5-(1-piperidyl)-8-isoquinolyl]carbamoyl]benzoate CAS Name: 4-[oxo-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-piperidin-1-ylisoquinolin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(5-piperidino-8-isoquinolyl)carbamoyl]benzoic acid methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C23H23N3O3/c1-29-23(28)17-7-5-16(6-8-17)22(27)25-20-9-10-21(26-13-3-2-4-14-26)18-11-12-24-15-19(18)20/h5-12,15H,2-4,13-14H2,1H3,(H,25,27)