2-(4-tert-butylphenyl)-7-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzoxazole

Systemtic Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzoxazole Openeye Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzoxazole CAS Name: 2-(4-tert-butylphenyl)-7-[4-(6-quinoxalinylmethyl)-1-piperazinyl]-1,3-benzoxazole IUPAC Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzoxazole Traditional Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-6-ylmethyl)piperazino]-1,3-benzoxazole Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C(=CC=C3)N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C(=CC=C3)N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C30H31N5O/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)36-29)35-17-15-34(16-18-35)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3