4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzonitrile Traditional Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1,4-diazepan-1-yl]benzonitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)C#N)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)C#N)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O/c21-14-16-6-8-17(9-7-16)24-11-3-10-23(12-13-24)15-20-22-18-4-1-2-5-19(18)25-20/h1-2,4-9H,3,10-13,15H2