2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(3-cyanopyrazin-2-yl)piperazine-1-carboxylate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(3-cyanopyrazin-2-yl)piperazine-1-carboxylate Openeye Name: 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl 4-(3-cyanopyrazin-2-yl)piperazine-1-carboxylate CAS Name: 4-(3-cyano-2-pyrazinyl)-1-piperazinecarboxylic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(9-phenanthrenylmethyl)amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(3-cyanopyrazin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-cyanopyrazin-2-yl)piperazine-1-carboxylic acid 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl ester Formula: C32H34N6O4 MolecularWeight: 566.65016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)C2=NC=CN=C2C#N)CC3=CC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)C2=NC=CN=C2C#N)CC3=CC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C32H34N6O4/c1-32(2,3)42-31(40)38(22-24-20-23-8-4-5-9-25(23)27-11-7-6-10-26(24)27)18-19-41-30(39)37-16-14-36(15-17-37)29-28(21-33)34-12-13-35-29/h4-13,20H,14-19,22H2,1-3H3