N-[(E)-4-cyano-3-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]but-3-enyl]carbamate

Systemtic Name: N-[(E)-4-cyano-3-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]but-3-enyl]carbamate Openeye Name: N-[(E)-4-cyano-3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]but-3-enyl]carbamate CAS Name: N-[(E)-4-cyano-3-[[[1-methyl-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]-oxomethyl]but-3-enyl]carbamate IUPAC Name: N-[(E)-4-cyano-3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]but-3-enyl]carbamate Traditional Name: N-[(E)-4-cyano-3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]but-3-enyl]carbamate Formula: C30H27N6O3- MolecularWeight: 519.57378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=O)C(=CC#N)CCNC(=O)[O-])NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)NC(=O)/C(=C/C#N)/CCNC(=O)[O-])NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28N6O3/c1-36-27(26(21-33-36)34-28(37)22(17-19-31)18-20-32-29(38)39)35-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-17,21,32,35H,18,20H2,1H3,(H,34,37)(H,38,39)/p-1/b22-17+