2-[2-[(2S)-1-[2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]ethanoyl]pyrrolidin-2-yl]ethyl]-1-ethyl-indole-6-carbonitrile

Systemtic Name: 2-[2-[(2S)-1-[2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]ethanoyl]pyrrolidin-2-yl]ethyl]-1-ethyl-indole-6-carbonitrile Openeye Name: 2-[2-[(2S)-1-[2-[(3S)-3-amino-2-oxo-azepan-1-yl]acetyl]pyrrolidin-2-yl]ethyl]-1-ethyl-indole-6-carbonitrile CAS Name: 2-[2-[(2S)-1-[2-[(3S)-3-amino-2-oxo-1-azepanyl]-1-oxoethyl]-2-pyrrolidinyl]ethyl]-1-ethyl-6-indolecarbonitrile IUPAC Name: 2-[2-[(2S)-1-[2-[(3S)-3-amino-2-oxoazepan-1-yl]acetyl]pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile Traditional Name: 2-[2-[(2S)-1-[2-[(3S)-3-amino-2-keto-azepan-1-yl]acetyl]pyrrolidin-2-yl]ethyl]-1-ethyl-indole-6-carbonitrile Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C#N)CCC3CCCN3C(=O)CN4CCCCC(C4=O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C#N)CC[C@@H]3CCCN3C(=O)CN4CCCC[C@@H](C4=O)N

InChI

InChI=1S/C25H33N5O2/c1-2-29-21(15-19-9-8-18(16-26)14-23(19)29)11-10-20-6-5-13-30(20)24(31)17-28-12-4-3-7-22(27)25(28)32/h8-9,14-15,20,22H,2-7,10-13,17,27H2,1H3/t20-,22-/m0/s1