N-[5-[[3-(2-cyanopropan-2-yl)-5-(2-pyrrolidin-1-ylethoxy)phenyl]carbonylamino]-2-methyl-phenyl]quinoxaline-6-carboxamide

Systemtic Name: N-[5-[[3-(2-cyanopropan-2-yl)-5-(2-pyrrolidin-1-ylethoxy)phenyl]carbonylamino]-2-methyl-phenyl]quinoxaline-6-carboxamide Openeye Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)-5-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-2-methyl-phenyl]quinoxaline-6-carboxamide CAS Name: N-[5-[[[3-(2-cyanopropan-2-yl)-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-oxomethyl]amino]-2-methylphenyl]-6-quinoxalinecarboxamide IUPAC Name: N-[5-[[3-(2-cyanopropan-2-yl)-5-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-2-methylphenyl]quinoxaline-6-carboxamide Traditional Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)-5-(2-pyrrolidinoethoxy)benzoyl]amino]-2-methyl-phenyl]quinoxaline-6-carboxamide Formula: C33H34N6O3 MolecularWeight: 562.66146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)OCCN3CCCC3)C(C)(C)C#N)NC(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)OCCN3CCCC3)C(C)(C)C#N)NC(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C33H34N6O3/c1-22-6-8-26(20-29(22)38-31(40)23-7-9-28-30(18-23)36-11-10-35-28)37-32(41)24-16-25(33(2,3)21-34)19-27(17-24)42-15-14-39-12-4-5-13-39/h6-11,16-20H,4-5,12-15H2,1-3H3,(H,37,41)(H,38,40)