4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]phenyl]pyridine-3-carbonitrile Openeye Name: 4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]phenyl]pyridine-3-carbonitrile CAS Name: 4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]phenyl]pyridine-3-carbonitrile Traditional Name: 4-(1H-indol-5-ylamino)-5-[3-[5-[(4-methylpiperazino)methyl]-2-thienyl]phenyl]nicotinonitrile Formula: C30H28N6S MolecularWeight: 504.64852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(S2)C3=CC=CC(=C3)C4=C(C(=CN=C4)C#N)NC5=CC6=C(C=C5)NC=C6

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(S2)C3=CC=CC(=C3)C4=C(C(=CN=C4)C#N)NC5=CC6=C(C=C5)NC=C6

InChI

InChI=1S/C30H28N6S/c1-35-11-13-36(14-12-35)20-26-6-8-29(37-26)23-4-2-3-21(15-23)27-19-32-18-24(17-31)30(27)34-25-5-7-28-22(16-25)9-10-33-28/h2-10,15-16,18-19,33H,11-14,20H2,1H3,(H,32,34)