5-(indol-1-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(indol-1-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(indol-1-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-indolylmethyl)-N-[(3S)-2-oxo-3-azepanyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(indol-1-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(indol-1-ylmethyl)-N-[(3S)-2-ketoazepan-3-yl]-1H-pyrazole-3-carboxamide Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=NNC(=C2)CN3C=CC4=CC=CC=C43

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=NNC(=C2)CN3C=CC4=CC=CC=C43

InChI

InChI=1S/C19H21N5O2/c25-18-15(6-3-4-9-20-18)21-19(26)16-11-14(22-23-16)12-24-10-8-13-5-1-2-7-17(13)24/h1-2,5,7-8,10-11,15H,3-4,6,9,12H2,(H,20,25)(H,21,26)(H,22,23)/t15-/m0/s1