(3S)-2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C20H20N4O5/c21-19(26)15-7-12-3-1-2-4-13(12)9-24(15)10-18(25)23-20(27)22-14-5-6-16-17(8-14)29-11-28-16/h1-6,8,15H,7,9-11H2,(H2,21,26)(H2,22,23,25,27)/t15-/m0/s1