(3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)NCC(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1[C@H](NCC2=CC=CC=C21)C(=O)NCC(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O2/c26-19(22-11-18-24-15-7-3-4-8-16(15)25-18)12-23-20(27)17-9-13-5-1-2-6-14(13)10-21-17/h1-8,17,21H,9-12H2,(H,22,26)(H,23,27)(H,24,25)/t17-/m0/s1