1-cyano-3-(2-methyl-1H-indol-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-methyl-1H-indol-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methyl-1H-indol-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-methyl-1H-indol-5-yl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2-methyl-1H-indol-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methyl-1H-indol-5-yl)guanidine Formula: C23H29N7O2 MolecularWeight: 435.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C23H29N7O2/c1-16-12-17-13-18(7-8-19(17)26-16)27-23(25-15-24)28-20-6-2-3-11-30(22(20)32)14-21(31)29-9-4-5-10-29/h7-8,12-13,20,26H,2-6,9-11,14H2,1H3,(H2,25,27,28)/t20-/m0/s1