(2S)-1-[(2S)-2-azanyl-3-[5-(4-azanylphenoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-[5-(4-azanylphenoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-3-[5-(4-aminophenoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-3-[5-(4-aminophenoxy)-1H-indol-3-yl]-1-oxopropyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-3-[5-(4-aminophenoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-3-[5-(4-aminophenoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)N)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)N)N)C#N

InChI

InChI=1S/C22H23N5O2/c23-12-16-2-1-9-27(16)22(28)20(25)10-14-13-26-21-8-7-18(11-19(14)21)29-17-5-3-15(24)4-6-17/h3-8,11,13,16,20,26H,1-2,9-10,24-25H2/t16-,20-/m0/s1