[4-[[4-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,5-a]quinoxalin-7-yl]amino]-4-oxidanylidene-butyl]carbamic acid

Systemtic Name: [4-[[4-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,5-a]quinoxalin-7-yl]amino]-4-oxidanylidene-butyl]carbamic acid Openeye Name: [4-[[4-(2-chloro-6-methyl-anilino)imidazo[1,5-a]quinoxalin-7-yl]amino]-4-oxo-butyl]carbamic acid CAS Name: [4-[[4-(2-chloro-6-methylanilino)-7-imidazo[1,5-a]quinoxalinyl]amino]-4-oxobutyl]carbamic acid IUPAC Name: [4-[[4-(2-chloro-6-methylanilino)imidazo[1,5-a]quinoxalin-7-yl]amino]-4-oxobutyl]carbamic acid Traditional Name: [4-[[4-(2-chloro-6-methyl-anilino)imidazo[1,5-a]quinoxalin-7-yl]amino]-4-keto-butyl]carbamic acid Formula: C22H21ClN6O3 MolecularWeight: 452.89354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC2=NC3=C(C=CC(=C3)NC(=O)CCCNC(=O)O)N4C2=CN=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC2=NC3=C(C=CC(=C3)NC(=O)CCCNC(=O)O)N4C2=CN=C4

InChI

InChI=1S/C22H21ClN6O3/c1-13-4-2-5-15(23)20(13)28-21-18-11-24-12-29(18)17-8-7-14(10-16(17)27-21)26-19(30)6-3-9-25-22(31)32/h2,4-5,7-8,10-12,25H,3,6,9H2,1H3,(H,26,30)(H,27,28)(H,31,32)