N-(3-azanyl-2-oxidanyl-propyl)-3-naphthalen-2-yl-2-[3-(6-oxidanylidene-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]propanamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-propyl)-3-naphthalen-2-yl-2-[3-(6-oxidanylidene-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]propanamide Openeye Name: N-(3-amino-2-hydroxy-propyl)-3-(2-naphthyl)-2-[3-(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]propanamide CAS Name: N-(3-amino-2-hydroxypropyl)-3-(2-naphthalenyl)-2-[[1-oxo-3-(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propyl]amino]propanamide IUPAC Name: N-(3-amino-2-hydroxypropyl)-3-naphthalen-2-yl-2-[3-(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]propanamide Traditional Name: N-(3-amino-2-hydroxy-propyl)-2-[3-(6-keto-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C3=CC=CC=C31)CCC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCC(CN)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C3=CC=CC=C31)CCC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCC(CN)O

InChI

InChI=1S/C34H36N4O4/c35-21-28(39)22-36-33(41)30(20-23-13-14-24-7-1-2-10-27(24)19-23)37-32(40)17-18-38-31-12-6-4-9-26(31)16-15-25-8-3-5-11-29(25)34(38)42/h1-14,19,28,30,39H,15-18,20-22,35H2,(H,36,41)(H,37,40)