[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C26H27N5O2/c32-25(30-15-6-16-31(18-17-30)26-27-13-5-14-28-26)21-11-12-23-22(19-21)29-24(33-23)10-4-9-20-7-2-1-3-8-20/h1-3,5,7-8,11-14,19H,4,6,9-10,15-18H2