4-[3-(5-methylfuran-2-yl)butyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[3-(5-methylfuran-2-yl)butyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[3-(5-methyl-2-furyl)butyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[3-(5-methyl-2-furanyl)butyl]-7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[3-(5-methylfuran-2-yl)butyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[3-(5-methyl-2-furyl)butyl]-7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CCN2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(O1)C(C)CCN2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H35N5O2/c1-21(25-6-4-22(2)34-25)8-11-30-16-17-33-26-7-5-23(18-24(26)20-30)19-31-12-14-32(15-13-31)27-28-9-3-10-29-27/h3-7,9-10,18,21H,8,11-17,19-20H2,1-2H3