2,5-dimethyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-3-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCCN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4)C

InChI

InChI=1S/C21H24N4O2S/c1-15-11-18(24(2)23-15)21(26)22-8-9-25-12-16-5-3-4-6-19(16)27-20(13-25)17-7-10-28-14-17/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3,(H,22,26)/t20-/m1/s1