7-[ethoxy(phenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-[ethoxy(phenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[ethoxy(phenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[ethoxy(phenyl)methyl]-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[ethoxy(phenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[ethoxy(phenyl)methyl]-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

CCOC(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCN(C3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C27H28N4O2/c1-2-32-26(21-8-4-3-5-9-21)22-11-12-25-23(18-22)19-30(16-17-33-25)20-24-10-6-15-31(24)27-28-13-7-14-29-27/h3-15,18,26H,2,16-17,19-20H2,1H3