N-(1-adamantylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-(1-adamantylmethyl)-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-6-(3-phenylpiperazino)nicotinamide Formula: C27H34N4O MolecularWeight: 430.58506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O/c32-26(30-18-27-13-19-10-20(14-27)12-21(11-19)15-27)23-6-7-25(29-16-23)31-9-8-28-24(17-31)22-4-2-1-3-5-22/h1-7,16,19-21,24,28H,8-15,17-18H2,(H,30,32)