N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-naphthalen-2-yl-propanamide

Systemtic Name: N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-naphthalen-2-yl-propanamide Openeye Name: N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]-3-(4-carbamimidoylphenyl)-2-(2-naphthyl)propanamide CAS Name: N-[2-[[2-amino-2-imino-1-(4-piperidinyl)ethyl]amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-(2-naphthalenyl)propanamide IUPAC Name: N-[2-[(2-amino-2-imino-1-piperidin-4-ylethyl)amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-naphthalen-2-ylpropanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-keto-ethyl]-2-(2-naphthyl)propionamide Formula: C35H45N7O2 MolecularWeight: 595.7775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC(C2CCNCC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(C(=O)NC(C2CCNCC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C35H45N7O2/c36-32(37)26-12-10-22(11-13-26)20-29(28-15-14-23-6-4-5-9-27(23)21-28)34(43)42-31(24-7-2-1-3-8-24)35(44)41-30(33(38)39)25-16-18-40-19-17-25/h4-6,9-15,21,24-25,29-31,40H,1-3,7-8,16-20H2,(H3,36,37)(H3,38,39)(H,41,44)(H,42,43)