4-[(E)-3-phenylprop-2-enyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(E)-cinnamyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(E)-3-phenylprop-2-enyl]-7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(E)-cinnamyl]-7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC=CC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C/C=C/C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H31N5O/c1-2-6-23(7-3-1)8-4-13-30-18-19-33-26-10-9-24(20-25(26)22-30)21-31-14-16-32(17-15-31)27-28-11-5-12-29-27/h1-12,20H,13-19,21-22H2/b8-4+