2-[3-[(2-methylphenyl)carbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[3-[(2-methylphenyl)carbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[3-[(2-methylbenzoyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[3-[(2-methylbenzoyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[3-(o-toluoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC3=CC=CC=C3CC2C(=O)N

InChI

InChI=1S/C21H23N3O3/c1-14-6-2-5-9-17(14)21(27)23-11-10-19(25)24-13-16-8-4-3-7-15(16)12-18(24)20(22)26/h2-9,18H,10-13H2,1H3,(H2,22,26)(H,23,27)