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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-imidazole-4-carboxamide Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-imidazole-4-carboxamide CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-N-methyl-N-(6-phenanthridinyl)-4-imidazolecarboxamide IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-phenanthridin-6-ylimidazole-4-carboxamide Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-N-methyl-N-phenanthridin-6-yl-imidazole-4-carboxamide Formula: C27H28N6O MolecularWeight: 452.55082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O/c1-3-4-16-33-24(17-29-27(33)32-15-9-10-19(28)18-32)26(34)31(2)25-22-13-6-5-11-20(22)21-12-7-8-14-23(21)30-25/h5-8,11-14,17,19H,9-10,15-16,18,28H2,1-2H3