6,7-dimethoxy-N-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxo-propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-keto-3-[[(1R,2S)-2-methylcyclohexyl]amino]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H33N3O4/c1-15-6-4-5-7-18(15)24-21(26)8-10-23-22(27)25-11-9-16-12-19(28-2)20(29-3)13-17(16)14-25/h12-13,15,18H,4-11,14H2,1-3H3,(H,23,27)(H,24,26)/t15-,18+/m0/s1