(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-2-oxo-2-[[5-(1-piperidyl)-8-isoquinolyl]amino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-1-[(5-piperidin-1-ylisoquinolin-8-yl)amino]propan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(5-piperidino-8-isoquinolyl)amino]ethyl]carbamic acid benzyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-18(27-25(31)32-17-19-8-4-2-5-9-19)24(30)28-22-10-11-23(29-14-6-3-7-15-29)20-12-13-26-16-21(20)22/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3,(H,27,31)(H,28,30)/t18-/m0/s1