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

Systemtic Name: 1-(2-methoxyphenyl)-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-4-carboxamide Openeye Name: 1-(2-methoxyphenyl)-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-4-carboxamide CAS Name: 1-(2-methoxyphenyl)-N-[2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(2-methoxyphenyl)-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-4-carboxamide Traditional Name: 1-(2-methoxyphenyl)-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]pyrazole-4-carboxamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)C(=O)NCCN3C[C@@H](OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C26H26N4O3S/c1-32-24-9-5-3-7-22(24)30-16-21(14-28-30)26(31)27-11-12-29-15-19-6-2-4-8-23(19)33-25(17-29)20-10-13-34-18-20/h2-10,13-14,16,18,25H,11-12,15,17H2,1H3,(H,27,31)/t25-/m1/s1