(3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: (3-methyl-5-propyl-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: (3-methyl-5-propyl-2-benzofuranyl)-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: (3-methyl-5-propyl-benzofuran-2-yl)-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N4O2/c1-3-6-17-7-8-19-18(15-17)16(2)20(28-19)21(27)25-11-5-12-26(14-13-25)22-23-9-4-10-24-22/h4,7-10,15H,3,5-6,11-14H2,1-2H3