2-[2-azanyl-2-(2,6-dimethyl-4-oxidanyl-phenyl)ethanoyl]-N-(2-azanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-azanyl-2-(2,6-dimethyl-4-oxidanyl-phenyl)ethanoyl]-N-(2-azanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-aminoethyl)-2-[2-amino-2-(4-hydroxy-2,6-dimethyl-phenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-aminoethyl)-2-[2-amino-2-(4-hydroxy-2,6-dimethylphenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-aminoethyl)-2-[2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-aminoethyl)-2-[2-amino-2-(4-hydroxy-2,6-dimethyl-phenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCN)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCN)N)C)O

InChI

InChI=1S/C22H28N4O3/c1-13-9-17(27)10-14(2)19(13)20(24)22(29)26-12-16-6-4-3-5-15(16)11-18(26)21(28)25-8-7-23/h3-6,9-10,18,20,27H,7-8,11-12,23-24H2,1-2H3,(H,25,28)