4-[(2-fluoranyl-4-methyl-phenyl)amino]-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxy-cinnoline-3-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxy-cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxy-cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxy-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxycinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-7-methoxy-cinnoline-3-carboxamide Formula: C24H29FN6O3 MolecularWeight: 468.523863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCCN(CC4)CCO)OC)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCCN(CC4)CCO)OC)C(=O)N)F

InChI

InChI=1S/C24H29FN6O3/c1-15-4-5-18(17(25)12-15)27-22-16-13-20(31-7-3-6-30(8-9-31)10-11-32)21(34-2)14-19(16)28-29-23(22)24(26)33/h4-5,12-14,32H,3,6-11H2,1-2H3,(H2,26,33)(H,27,28)