N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-pyrimidin-2-yl-benzamide

Systemtic Name: N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-pyrimidin-2-yl-benzamide Openeye Name: N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-pyrimidin-2-yl-benzamide CAS Name: N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)-1-piperazinyl]butyl]-3-(2-pyrimidinyl)benzamide IUPAC Name: N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-3-pyrimidin-2-ylbenzamide Traditional Name: N-[4-[4-(5-methoxyindoxazen-3-yl)piperazino]butyl]-3-(2-pyrimidyl)benzamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)CCCCNC(=O)C4=CC=CC(=C4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)CCCCNC(=O)C4=CC=CC(=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H30N6O3/c1-35-22-8-9-24-23(19-22)26(31-36-24)33-16-14-32(15-17-33)13-3-2-10-30-27(34)21-7-4-6-20(18-21)25-28-11-5-12-29-25/h4-9,11-12,18-19H,2-3,10,13-17H2,1H3,(H,30,34)