1-[9-(2,3-dihydro-1H-inden-1-yloxy)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[9-(2,3-dihydro-1H-inden-1-yloxy)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[9-indan-1-yloxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[9-(2,3-dihydro-1H-inden-1-yloxy)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[9-(2,3-dihydro-1H-inden-1-yloxy)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[9-indan-1-yloxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC4CCC5=CC=CC=C45)C6=CC=CS6

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC4CCC5=CC=CC=C45)C6=CC=CS6

InChI

InChI=1S/C29H29N3O3S/c1-20-10-12-32(30-20)13-11-28(33)31-14-15-34-29-23(19-31)17-22(27-7-4-16-36-27)18-26(29)35-25-9-8-21-5-2-3-6-24(21)25/h2-7,10,12,16-18,25H,8-9,11,13-15,19H2,1H3