(3S)-N-(3-azanylpropyl)-2-[4-(4-hydroxyphenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-azanylpropyl)-2-[4-(4-hydroxyphenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-aminopropyl)-2-[4-(4-hydroxyphenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-aminopropyl)-2-[4-(4-hydroxyphenyl)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-aminopropyl)-2-[4-(4-hydroxyphenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-aminopropyl)-2-[4-(4-hydroxyphenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCCC3=CC=C(C=C3)O)C(=O)NCCCN

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CCCC3=CC=C(C=C3)O)C(=O)NCCCN

InChI

InChI=1S/C23H29N3O3/c24-13-4-14-25-23(29)21-15-18-6-1-2-7-19(18)16-26(21)22(28)8-3-5-17-9-11-20(27)12-10-17/h1-2,6-7,9-12,21,27H,3-5,8,13-16,24H2,(H,25,29)/t21-/m0/s1