(phenylmethyl) N-[5-oxidanylidene-5-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-oxidanylidene-5-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamate Openeye Name: benzyl N-[5-oxo-5-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamate CAS Name: N-[5-oxo-5-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-oxo-5-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamate Traditional Name: N-[5-keto-5-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]carbamic acid benzyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)CCCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4/c31-25(14-6-7-15-28-27(33)34-20-21-10-2-1-3-11-21)30-19-23-13-5-4-12-22(23)18-24(30)26(32)29-16-8-9-17-29/h1-5,10-13,24H,6-9,14-20H2,(H,28,33)/t24-/m0/s1