4-tert-butyl-N-[6-[4-(2-methyl-1-oxidanyl-but-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(2-methyl-1-oxidanyl-but-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-[1-(hydroxymethyl)-1-methyl-allyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-(1-hydroxy-2-methylbut-3-en-2-yl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(1-hydroxy-2-methylbut-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(1-methyl-1-methylol-allyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(C)(CO)C=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(C)(CO)C=C

InChI

InChI=1S/C26H36N4O2/c1-6-26(5,19-31)30-15-7-14-29(16-17-30)23-13-12-22(18-27-23)28-24(32)20-8-10-21(11-9-20)25(2,3)4/h6,8-13,18,31H,1,7,14-17,19H2,2-5H3,(H,28,32)