ethyl 4-[[4-(3-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(3-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(3-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(3-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C27H31N5O4/c1-2-35-27(34)30-13-11-29(12-14-30)19-21-7-8-25-23(17-21)20-31(15-16-36-25)26(33)22-5-3-6-24(18-22)32-10-4-9-28-32/h3-10,17-18H,2,11-16,19-20H2,1H3