5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-1,2,4-triazole-3-carboxamide Openeye Name: 5-(3-amino-1-piperidyl)-4-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-1,2,4-triazole-3-carboxamide CAS Name: 5-(3-amino-1-piperidinyl)-4-but-2-ynyl-N-methyl-N-(6-phenanthridinyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-1,2,4-triazole-3-carboxamide Traditional Name: 5-(3-aminopiperidino)-4-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-1,2,4-triazole-3-carboxamide Formula: C26H27N7O MolecularWeight: 453.53888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)N(C)C3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)N(C)C3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C26H27N7O/c1-3-4-16-33-24(29-30-26(33)32-15-9-10-18(27)17-32)25(34)31(2)23-21-13-6-5-11-19(21)20-12-7-8-14-22(20)28-23/h5-8,11-14,18H,9-10,15-17,27H2,1-2H3