ethyl 5-(acetamidomethyl)-3-[2-[[(cyanoamino)-phenylazanyl-methylidene]amino]ethyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-(acetamidomethyl)-3-[2-[[(cyanoamino)-phenylazanyl-methylidene]amino]ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-(acetamidomethyl)-3-[2-[[anilino-(cyanoamino)methylene]amino]ethyl]-1H-indole-2-carboxylate CAS Name: 5-(acetamidomethyl)-3-[2-[[anilino-(cyanoamino)methylidene]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(acetamidomethyl)-3-[2-[[anilino-(cyanoamino)methylidene]amino]ethyl]-1H-indole-2-carboxylate Traditional Name: 5-(acetamidomethyl)-3-[2-[[anilino-(cyanoamino)methylene]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC(=O)C)CCN=C(NC#N)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC(=O)C)CCN=C(NC#N)NC3=CC=CC=C3

InChI

InChI=1S/C24H26N6O3/c1-3-33-23(32)22-19(20-13-17(14-27-16(2)31)9-10-21(20)30-22)11-12-26-24(28-15-25)29-18-7-5-4-6-8-18/h4-10,13,30H,3,11-12,14H2,1-2H3,(H,27,31)(H2,26,28,29)