N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2/c1-14-6-9-18(22-20(25)16-7-8-16)12-19(14)23-21(26)24-11-10-15-4-2-3-5-17(15)13-24/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,22,25)(H,23,26)