N-(1,3-benzodioxol-5-yl)-7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-7-[(3-methoxy-1-oxopropyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C21H23N3O5/c1-27-9-7-20(25)22-16-3-2-14-6-8-24(12-15(14)10-16)21(26)23-17-4-5-18-19(11-17)29-13-28-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)