N-(4-azanyl-2-chloranyl-phenyl)-4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Openeye Name: N-(4-amino-2-chloro-phenyl)-4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carboxamide CAS Name: N-(4-amino-2-chlorophenyl)-4-[4-[[(2-methoxy-5-methylanilino)-oxomethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-amino-2-chlorophenyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Traditional Name: N-(4-amino-2-chloro-phenyl)-4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Formula: C26H29ClN6O3 MolecularWeight: 508.99986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)N)Cl

InChI

InChI=1S/C26H29ClN6O3/c1-17-3-10-24(36-2)23(15-17)30-25(34)29-19-5-7-20(8-6-19)32-11-13-33(14-12-32)26(35)31-22-9-4-18(28)16-21(22)27/h3-10,15-16H,11-14,28H2,1-2H3,(H,31,35)(H2,29,30,34)