N-[(3S)-1-(3-azanyl-3-oxidanylidene-propyl)pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide

Systemtic Name: N-[(3S)-1-(3-azanyl-3-oxidanylidene-propyl)pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide Openeye Name: N-[(3S)-1-(3-amino-3-oxo-propyl)pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide CAS Name: N-[(3S)-1-(3-amino-3-oxopropyl)-3-pyrrolidinyl]-1-(1,3-benzoxazol-2-yl)-2-piperidinecarboxamide IUPAC Name: N-[(3S)-1-(3-amino-3-oxopropyl)pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide Traditional Name: N-[(3S)-1-(3-amino-3-keto-propyl)pyrrolidin-3-yl]-1-(1,3-benzoxazol-2-yl)pipecolinamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCN(C2)CCC(=O)N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C(C1)C(=O)N[C@H]2CCN(C2)CCC(=O)N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N5O3/c21-18(26)9-12-24-11-8-14(13-24)22-19(27)16-6-3-4-10-25(16)20-23-15-5-1-2-7-17(15)28-20/h1-2,5,7,14,16H,3-4,6,8-13H2,(H2,21,26)(H,22,27)/t14-,16?/m0/s1