N-[5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]carbamoyl]-6-ethyl-2-methoxy-pyridin-3-yl]-4-phenyl-piperazine-1-carboxamide

Systemtic Name: N-[5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]carbamoyl]-6-ethyl-2-methoxy-pyridin-3-yl]-4-phenyl-piperazine-1-carboxamide Openeye Name: N-[5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]carbamoyl]-6-ethyl-2-methoxy-3-pyridyl]-4-phenyl-piperazine-1-carboxamide CAS Name: N-[5-[[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]-oxomethyl]-6-ethyl-2-methoxy-3-pyridinyl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]carbamoyl]-6-ethyl-2-methoxypyridin-3-yl]-4-phenylpiperazine-1-carboxamide Traditional Name: N-[5-[[3-(acridin-9-ylamino)-5-methylol-phenyl]carbamoyl]-6-ethyl-2-methoxy-3-pyridyl]-4-phenyl-piperazine-1-carboxamide Formula: C40H39N7O4 MolecularWeight: 681.78216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)NC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)CO)NC(=O)N6CCN(CC6)C7=CC=CC=C7)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)NC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)CO)NC(=O)N6CCN(CC6)C7=CC=CC=C7)OC

InChI

InChI=1S/C40H39N7O4/c1-3-33-32(24-36(39(44-33)51-2)45-40(50)47-19-17-46(18-20-47)29-11-5-4-6-12-29)38(49)42-28-22-26(25-48)21-27(23-28)41-37-30-13-7-9-15-34(30)43-35-16-10-8-14-31(35)37/h4-16,21-24,48H,3,17-20,25H2,1-2H3,(H,41,43)(H,42,49)(H,45,50)