3-(3,5-dimethylpyrazol-1-yl)-1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-1-[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4)C

InChI

InChI=1S/C27H28N4O3/c1-18-12-19(2)31(29-18)9-8-26(32)30-10-11-34-27-23(17-30)14-21(15-25(27)33-3)22-13-20-6-4-5-7-24(20)28-16-22/h4-7,12-16H,8-11,17H2,1-3H3