1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)propan-1-one CAS Name: 1-[7-[(4-phenyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[7-[(4-phenylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)propan-1-one Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O2S/c31-27(11-9-25-7-4-18-33-25)30-16-17-32-26-10-8-22(19-23(26)21-30)20-28-12-14-29(15-13-28)24-5-2-1-3-6-24/h1-8,10,18-19H,9,11-17,20-21H2