tert-butyl N-[3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-naphthalen-2-yl-4-(4-phenylpiperazin-1-yl)phenyl]carbamate

Systemtic Name: tert-butyl N-[3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-naphthalen-2-yl-4-(4-phenylpiperazin-1-yl)phenyl]carbamate Openeye Name: tert-butyl N-[[2-(tert-butoxycarbonylamino)-6-cyano-3-(2-naphthyl)-5-(4-phenylpiperazin-1-yl)phenyl]methyl]carbamate CAS Name: N-[3-cyano-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-6-(2-naphthalenyl)-4-(4-phenyl-1-piperazinyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-cyano-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-naphthalen-2-yl-4-(4-phenylpiperazin-1-yl)phenyl]carbamate Traditional Name: N-[2-(tert-butoxycarbonylamino)-6-cyano-3-(2-naphthyl)-5-(4-phenylpiperazino)benzyl]carbamic acid tert-butyl ester Formula: C38H43N5O4 MolecularWeight: 633.77912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C(=CC(=C1C#N)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C(=CC(=C1C#N)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H43N5O4/c1-37(2,3)46-35(44)40-25-32-31(24-39)33(43-20-18-42(19-21-43)29-14-8-7-9-15-29)23-30(34(32)41-36(45)47-38(4,5)6)28-17-16-26-12-10-11-13-27(26)22-28/h7-17,22-23H,18-21,25H2,1-6H3,(H,40,44)(H,41,45)