tert-butyl 6-[1-[4-(diphenylmethyl)piperazin-1-yl]-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylate

Systemtic Name: tert-butyl 6-[1-[4-(diphenylmethyl)piperazin-1-yl]-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylate Openeye Name: tert-butyl 6-[1-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(prop-2-enoylamino)propyl]pyridine-3-carboxylate CAS Name: 6-[1-[4-(diphenylmethyl)-1-piperazinyl]-4-(1-oxoprop-2-enylamino)butan-2-yl]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[1-(4-benzhydrylpiperazin-1-yl)-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylate Traditional Name: 6-[3-acrylamido-1-[(4-benzhydrylpiperazino)methyl]propyl]nicotinic acid tert-butyl ester Formula: C34H42N4O3 MolecularWeight: 554.72228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=C(C=C1)C(CCNC(=O)C=C)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)C(CCNC(=O)C=C)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H42N4O3/c1-5-31(39)35-19-18-29(30-17-16-28(24-36-30)33(40)41-34(2,3)4)25-37-20-22-38(23-21-37)32(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h5-17,24,29,32H,1,18-23,25H2,2-4H3,(H,35,39)