5-oxidanylidene-1-prop-2-enyl-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide

Systemtic Name: 5-oxidanylidene-1-prop-2-enyl-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide Openeye Name: 1-allyl-5-oxo-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrrolidine-3-carboxamide CAS Name: 5-oxo-1-prop-2-enyl-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-pyrrolidinecarboxamide IUPAC Name: 5-oxo-1-prop-2-enyl-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrrolidine-3-carboxamide Traditional Name: 1-allyl-5-keto-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrrolidine-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC(CC1=O)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

C=CCN1CC(CC1=O)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C23H27N3O3S/c1-2-9-26-14-19(12-22(26)27)23(28)24-8-10-25-13-17-5-3-4-6-20(17)29-21(15-25)18-7-11-30-16-18/h2-7,11,16,19,21H,1,8-10,12-15H2,(H,24,28)