N-[(3S)-2-oxidanylideneazepan-3-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c27-22(26-18-10-4-5-14-24-23(18)28)17-12-13-20-19(15-17)25-21(29-20)11-6-9-16-7-2-1-3-8-16/h1-3,7-8,12-13,15,18H,4-6,9-11,14H2,(H,24,28)(H,26,27)/t18-/m0/s1