4-tert-butyl-N-[6-[4-(2-oxidanyl-3-prop-2-enoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(2-oxidanyl-3-prop-2-enoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: N-[6-[4-(3-allyloxy-2-hydroxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-tert-butyl-benzamide Formula: C27H38N4O3 MolecularWeight: 466.61562

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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)CC(COCC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O3/c1-5-17-34-20-24(32)19-30-13-6-14-31(16-15-30)25-12-11-23(18-28-25)29-26(33)21-7-9-22(10-8-21)27(2,3)4/h5,7-12,18,24,32H,1,6,13-17,19-20H2,2-4H3,(H,29,33)