(2-ethyl-5-methyl-pyrazol-3-yl)-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (2-ethyl-5-methyl-3-pyrazolyl)-[7-[(4-phenyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (2-ethyl-5-methylpyrazol-3-yl)-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (2-ethyl-5-methyl-pyrazol-3-yl)-[7-[(4-phenylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2/c1-3-32-25(17-21(2)28-32)27(33)31-15-16-34-26-10-9-22(18-23(26)20-31)19-29-11-13-30(14-12-29)24-7-5-4-6-8-24/h4-10,17-18H,3,11-16,19-20H2,1-2H3