1-azanyl-N-[(1R)-2-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[(1R)-2-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[(1R)-2-[[4-(1-methyl-4-piperidyl)-1-piperidyl]amino]-2-oxo-1-phenyl-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[(1R)-2-[[4-(1-methyl-4-piperidinyl)-1-piperidinyl]amino]-2-oxo-1-phenylethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[(1R)-2-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]amino]-2-oxo-1-phenylethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[(1R)-2-keto-2-[[4-(1-methyl-4-piperidyl)piperidino]amino]-1-phenyl-ethyl]isoquinoline-7-carboxamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(CC2)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CN1CCC(CC1)C2CCN(CC2)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C29H36N6O2/c1-34-15-10-20(11-16-34)21-12-17-35(18-13-21)33-29(37)26(23-5-3-2-4-6-23)32-28(36)24-8-7-22-9-14-31-27(30)25(22)19-24/h2-9,14,19-21,26H,10-13,15-18H2,1H3,(H2,30,31)(H,32,36)(H,33,37)/t26-/m1/s1