N-(6-azanyl-1-butyl-3,3-dimethyl-2-oxidanylidene-indol-5-yl)-3-(1-methylimidazol-2-yl)propanamide

Systemtic Name: N-(6-azanyl-1-butyl-3,3-dimethyl-2-oxidanylidene-indol-5-yl)-3-(1-methylimidazol-2-yl)propanamide Openeye Name: N-(6-amino-1-butyl-3,3-dimethyl-2-oxo-indolin-5-yl)-3-(1-methylimidazol-2-yl)propanamide CAS Name: N-(6-amino-1-butyl-3,3-dimethyl-2-oxo-5-indolyl)-3-(1-methyl-2-imidazolyl)propanamide IUPAC Name: N-(6-amino-1-butyl-3,3-dimethyl-2-oxoindol-5-yl)-3-(1-methylimidazol-2-yl)propanamide Traditional Name: N-(6-amino-1-butyl-2-keto-3,3-dimethyl-indolin-5-yl)-3-(1-methylimidazol-2-yl)propionamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(C1=O)(C)C)NC(=O)CCC3=NC=CN3C)N

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(C1=O)(C)C)NC(=O)CCC3=NC=CN3C)N

InChI

InChI=1S/C21H29N5O2/c1-5-6-10-26-17-13-15(22)16(12-14(17)21(2,3)20(26)28)24-19(27)8-7-18-23-9-11-25(18)4/h9,11-13H,5-8,10,22H2,1-4H3,(H,24,27)