2-azanyl-N-[6-(2-azanylethanoylamino)-4-(8-pyren-1-ylnaphthalen-1-yl)pyridin-2-yl]ethanamide trihydrochloride

Systemtic Name: 2-azanyl-N-[6-(2-azanylethanoylamino)-4-(8-pyren-1-ylnaphthalen-1-yl)pyridin-2-yl]ethanamide trihydrochloride Openeye Name: 2-amino-N-[6-[(2-aminoacetyl)amino]-4-(8-pyren-1-yl-1-naphthyl)-2-pyridyl]acetamide trihydrochloride CAS Name: 2-amino-N-[6-[(2-amino-1-oxoethyl)amino]-4-[8-(1-pyrenyl)-1-naphthalenyl]-2-pyridinyl]acetamide trihydrochloride IUPAC Name: 2-amino-N-[6-[(2-aminoacetyl)amino]-4-(8-pyren-1-ylnaphthalen-1-yl)pyridin-2-yl]acetamide trihydrochloride Traditional Name: 2-amino-N-[6-(glycylamino)-4-(8-pyren-1-yl-1-naphthyl)-2-pyridyl]acetamide trihydrochloride Formula: C35H30Cl3N5O2 MolecularWeight: 659.004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=CC6=C5C(=CC=C6)C7=CC(=NC(=C7)NC(=O)CN)NC(=O)CN.Cl.Cl.Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=CC6=C5C(=CC=C6)C7=CC(=NC(=C7)NC(=O)CN)NC(=O)CN.Cl.Cl.Cl

InChI

InChI=1S/C35H27N5O2.3ClH/c36-18-31(41)39-29-16-24(17-30(38-29)40-32(42)19-37)25-8-2-6-20-7-3-9-27(34(20)25)26-14-12-23-11-10-21-4-1-5-22-13-15-28(26)35(23)33(21)22;;;/h1-17H,18-19,36-37H2,(H2,38,39,40,41,42);3*1H