(3S)-2-[(2S)-2-azanyl-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile Openeye Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile CAS Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile IUPAC Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile Traditional Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonitrile Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC4=CC=CC=C4N3)N)C#N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC4=CC=CC=C4N3)N)C#N

InChI

InChI=1S/C21H20N4O/c22-12-18-10-14-5-1-2-7-16(14)13-25(18)21(26)19(23)11-17-9-15-6-3-4-8-20(15)24-17/h1-9,18-19,24H,10-11,13,23H2/t18-,19-/m0/s1