2-(3-methoxyphenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[(3S)-2-oxo-3-azepanyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C21H21N3O4/c1-27-15-6-4-5-14(11-15)21-24-16-9-8-13(12-18(16)28-21)19(25)23-17-7-2-3-10-22-20(17)26/h4-6,8-9,11-12,17H,2-3,7,10H2,1H3,(H,22,26)(H,23,25)/t17-/m0/s1