4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-N-[4-methyl-2-(6-oxidanylidene-6-piperazin-1-yl-hexoxy)phenyl]benzamide

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-N-[4-methyl-2-(6-oxidanylidene-6-piperazin-1-yl-hexoxy)phenyl]benzamide Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-(6-oxo-6-piperazin-1-yl-hexoxy)phenyl]benzamide CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-oxo-6-(1-piperazinyl)hexoxy]phenyl]benzamide IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-N-[4-methyl-2-(6-oxo-6-piperazin-1-ylhexoxy)phenyl]benzamide Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-(6-keto-6-piperazino-hexoxy)-4-methyl-phenyl]-3-methoxy-N-methyl-benzamide Formula: C36H47N5O6 MolecularWeight: 645.78828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCN)OC)OCCCCCC(=O)N4CCNCC4

InChI

InChI=1S/C36H47N5O6/c1-26-13-16-30(33(24-26)47-22-8-4-5-12-34(42)41-20-18-38-19-21-41)40(2)36(44)27-14-15-29(32(25-27)45-3)39-35(43)28-10-6-7-11-31(28)46-23-9-17-37/h6-7,10-11,13-16,24-25,38H,4-5,8-9,12,17-23,37H2,1-3H3,(H,39,43)