N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(dimethylaminomethyl)-1H-indole-5-carboxamide Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC2=C(C=C1)NC=C2CN(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC2=C(C=C1)NC=C2CN(C)C

InChI

InChI=1S/C20H27N5O2/c1-13(2)9-18(20(27)22-8-7-21)24-19(26)14-5-6-17-16(10-14)15(11-23-17)12-25(3)4/h5-6,10-11,13,18,23H,8-9,12H2,1-4H3,(H,22,27)(H,24,26)