7-chloranyl-N-cyclohexyl-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: 7-chloranyl-N-cyclohexyl-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: 7-chloro-N-cyclohexyl-2-isopropyl-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxamide CAS Name: 7-chloro-N-cyclohexyl-3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: 7-chloro-N-cyclohexyl-3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: 7-chloro-N-cyclohexyl-2-isopropyl-3-keto-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxamide Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NC3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NC3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H30ClN3O3/c1-16(2)23-25(31)29(15-17-7-6-12-27-14-17)22(20-13-18(26)10-11-21(20)32-23)24(30)28-19-8-4-3-5-9-19/h6-7,10-14,16,19,22-23H,3-5,8-9,15H2,1-2H3,(H,28,30)