1,3-bis[3-(1-methylpiperidin-4-yl)-1-oxidanylidene-2H-isoquinolin-5-yl]urea

Systemtic Name: 1,3-bis[3-(1-methylpiperidin-4-yl)-1-oxidanylidene-2H-isoquinolin-5-yl]urea Openeye Name: 1,3-bis[3-(1-methyl-4-piperidyl)-1-oxo-2H-isoquinolin-5-yl]urea CAS Name: 1,3-bis[3-(1-methyl-4-piperidinyl)-1-oxo-2H-isoquinolin-5-yl]urea IUPAC Name: 1,3-bis[3-(1-methylpiperidin-4-yl)-1-oxo-2H-isoquinolin-5-yl]urea Traditional Name: 1,3-bis[1-keto-3-(1-methyl-4-piperidyl)-2H-isoquinolin-5-yl]urea Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC3=C(C=CC=C3NC(=O)NC4=CC=CC5=C4C=C(NC5=O)C6CCN(CC6)C)C(=O)N2

Isomeric SMILES

CN1CCC(CC1)C2=CC3=C(C=CC=C3NC(=O)NC4=CC=CC5=C4C=C(NC5=O)C6CCN(CC6)C)C(=O)N2

InChI

InChI=1S/C31H36N6O3/c1-36-13-9-19(10-14-36)27-17-23-21(29(38)32-27)5-3-7-25(23)34-31(40)35-26-8-4-6-22-24(26)18-28(33-30(22)39)20-11-15-37(2)16-12-20/h3-8,17-20H,9-16H2,1-2H3,(H,32,38)(H,33,39)(H2,34,35,40)