6-[[4-(piperidin-4-ylmethylamino)cyclohexyl]amino]-2H-isoquinolin-1-one

Systemtic Name: 6-[[4-(piperidin-4-ylmethylamino)cyclohexyl]amino]-2H-isoquinolin-1-one Openeye Name: 6-[[4-(4-piperidylmethylamino)cyclohexyl]amino]-2H-isoquinolin-1-one CAS Name: 6-[[4-(4-piperidinylmethylamino)cyclohexyl]amino]-2H-isoquinolin-1-one IUPAC Name: 6-[[4-(piperidin-4-ylmethylamino)cyclohexyl]amino]-2H-isoquinolin-1-one Traditional Name: 6-[[4-(4-piperidylmethylamino)cyclohexyl]amino]isocarbostyril Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2CCNCC2)NC3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

C1CC(CCC1NCC2CCNCC2)NC3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C21H30N4O/c26-21-20-6-5-19(13-16(20)9-12-23-21)25-18-3-1-17(2-4-18)24-14-15-7-10-22-11-8-15/h5-6,9,12-13,15,17-18,22,24-25H,1-4,7-8,10-11,14H2,(H,23,26)