5-[2-[6-[4-(phenylmethyl)piperazin-1-yl]pyridin-3-yl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide

Systemtic Name: 5-[2-[6-[4-(phenylmethyl)piperazin-1-yl]pyridin-3-yl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide Openeye Name: 5-[2-[6-(4-benzylpiperazin-1-yl)-3-pyridyl]-4-pyridyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide CAS Name: 5-[2-[6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinyl]-4-pyridinyl]-2-(1-piperazinyl)-1H-pyrrole-3-carboxamide IUPAC Name: 5-[2-[6-(4-benzylpiperazin-1-yl)pyridin-3-yl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide Traditional Name: 5-[2-[6-(4-benzylpiperazino)-3-pyridyl]-4-pyridyl]-2-piperazino-1H-pyrrole-3-carboxamide Formula: C30H34N8O MolecularWeight: 522.64396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CN=C(C=C4)N5CCN(CC5)CC6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CN=C(C=C4)N5CCN(CC5)CC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C30H34N8O/c31-29(39)25-19-27(35-30(25)38-12-10-32-11-13-38)23-8-9-33-26(18-23)24-6-7-28(34-20-24)37-16-14-36(15-17-37)21-22-4-2-1-3-5-22/h1-9,18-20,32,35H,10-17,21H2,(H2,31,39)