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

Systemtic Name: 1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H26N4O3/c1-18-7-9-30(28-18)10-8-25(31)29-11-12-33-26-22(17-29)14-20(15-24(26)32-2)21-13-19-5-3-4-6-23(19)27-16-21/h3-7,9,13-16H,8,10-12,17H2,1-2H3